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1070176-30-5 | 4-[4-(5-Methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]piperidine
CAS No: 1070176-30-5 Catalog No: AG01F5ML MDL No:
Product Description
Catalog Number:
AG01F5ML
Chemical Name:
4-[4-(5-Methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]piperidine
CAS Number:
1070176-30-5
Molecular Formula:
C18H19N3OS
Molecular Weight:
325.4280
IUPAC Name:
5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
InChI:
InChI=1S/C18H19N3OS/c1-12-16(17(21-22-12)13-5-3-2-4-6-13)15-11-23-18(20-15)14-7-9-19-10-8-14/h2-6,11,14,19H,7-10H2,1H3
InChI Key:
JGNQGLVOXXPGDJ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1c1csc(n1)C1CCNCC1)c1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.43g/mol
Monoisotopic Mass:
325.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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