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1006-68-4

1006-68-4 | Oxazole, 5-phenyl-

CAS No: 1006-68-4 Catalog No: AG0002FR MDL No:MFCD00067074

Product Description

Catalog Number:
AG0002FR
Chemical Name:
Oxazole, 5-phenyl-
CAS Number:
1006-68-4
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00067074
IUPAC Name:
5-phenyl-1,3-oxazole
InChI:
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
InChI Key:
YPYPBEGIASEWKA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnco1

Properties

Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Synthesis and evaluation of heteroarylalanine diacids as potent and selective neutral endopeptidase inhibitors. Bioorganic & medicinal chemistry letters 20110601
Metalation of 4-oxazolinyloxazole derivatives. A convenient route to 2,4-bifunctionalized oxazoles. The Journal of organic chemistry 20020531

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