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824968-98-1 | 5-Isoxazolecarboxamide, N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS No: 824968-98-1 Catalog No: AG005819 MDL No:
Product Description
Catalog Number:
AG005819
Chemical Name:
5-Isoxazolecarboxamide, N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS Number:
824968-98-1
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
InChI:
InChI=1S/C14H12N4O2/c1-9-12(16-14(19)11-7-8-15-20-11)13(18-17-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,19)(H,17,18)
InChI Key:
YBJDVAHHHNWNPA-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(c1NC(=O)c1ccno1)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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