CAS 1006-65-1 | Isoxazole, 3-phenyl- | CAS Number 1006-65-1

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1006-65-1 | Isoxazole, 3-phenyl-

CAS No: 1006-65-1 Catalog No: AG0002FT MDL No:MFCD00464218

Product Description

Catalog Number:

AG0002FT

Chemical Name:

Isoxazole, 3-phenyl-

CAS Number:

1006-65-1

Molecular Formula:

C9H7NO

Molecular Weight:

145.1580

MDL Number:

MFCD00464218

IUPAC Name:

3-phenyl-1,2-oxazole

InChI:

InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H

InChI Key:

ZBRDJMFLJXFIGJ-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)c1nocc1

Properties

Complexity:

121

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

145.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

145.161g/mol

Monoisotopic Mass:

145.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and biological evaluation of isoxazole, oxazole, and oxadiazole containing heteroaryl analogs of biaryl ureas as DGAT1 inhibitors.	European journal of medicinal chemistry 20120801
Fragment-based discovery of bromodomain inhibitors part 2: optimization of phenylisoxazole sulfonamides.	Journal of medicinal chemistry 20120126
Phenyl isoxazole voltage-gated sodium channel blockers: structure and activity relationship.	Bioorganic & medicinal chemistry letters 20110701
Novel mechanism of inhibition of human angiotensin-I-converting enzyme (ACE) by a highly specific phosphinic tripeptide.	The Biochemical journal 20110515
Use of the nitrile oxide cycloaddition (NOC) reaction for molecular probe generation: a new class of enzyme selective histone deacetylase inhibitors (HDACIs) showing picomolar activity at HDAC6.	Journal of medicinal chemistry 20080814
Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II 'selective' inhibitor celecoxib.	Bioorganic & medicinal chemistry letters 20060115