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519017-76-6 | 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CAS No: 519017-76-6 Catalog No: AG00ITJC MDL No:MFCD02662174
Product Description
Catalog Number:
AG00ITJC
Chemical Name:
3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CAS Number:
519017-76-6
Molecular Formula:
C18H12ClN3O2
Molecular Weight:
337.7598
MDL Number:
MFCD02662174
IUPAC Name:
3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C18H12ClN3O2/c1-11-16(17(22-24-11)14-4-2-3-5-15(14)19)18(23)21-13-8-6-12(10-20)7-9-13/h2-9H,1H3,(H,21,23)
InChI Key:
NVZRTHVBFIMHSV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=O)c1c(C)onc1c1ccccc1Cl
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.763g/mol
Monoisotopic Mass:
337.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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