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1023869-14-8 | 3-(2-chlorophenyl)-5-methyl-N-(2-methylbut-3-yn-2-yl)-1,2-oxazole-4-carboxamide
CAS No: 1023869-14-8 Catalog No: AG00ITDR MDL No:MFCD00118206
Product Description
Catalog Number:
AG00ITDR
Chemical Name:
3-(2-chlorophenyl)-5-methyl-N-(2-methylbut-3-yn-2-yl)-1,2-oxazole-4-carboxamide
CAS Number:
1023869-14-8
Molecular Formula:
C16H15ClN2O2
Molecular Weight:
302.7555
MDL Number:
MFCD00118206
IUPAC Name:
3-(2-chlorophenyl)-5-methyl-N-(2-methylbut-3-yn-2-yl)-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C16H15ClN2O2/c1-5-16(3,4)18-15(20)13-10(2)21-19-14(13)11-8-6-7-9-12(11)17/h1,6-9H,2-4H3,(H,18,20)
InChI Key:
JYYQXFVENFDEBY-UHFFFAOYSA-N
SMILES:
C#CC(NC(=O)c1c(C)onc1c1ccccc1Cl)(C)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.758g/mol
Monoisotopic Mass:
302.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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