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101291-06-9 | 3-Isoxazolecarboxamide, N,5-diphenyl-
CAS No: 101291-06-9 Catalog No: AG00045Q MDL No:
Product Description
Catalog Number:
AG00045Q
Chemical Name:
3-Isoxazolecarboxamide, N,5-diphenyl-
CAS Number:
101291-06-9
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
N,5-diphenyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C16H12N2O2/c19-16(17-13-9-5-2-6-10-13)14-11-15(20-18-14)12-7-3-1-4-8-12/h1-11H,(H,17,19)
InChI Key:
KFRZPEBAENPQTA-UHFFFAOYSA-N
SMILES:
O=C(c1noc(c1)c1ccccc1)Nc1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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