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114284-41-2 | Benzamide, N-[(4,5-dihydro-2-phenyl-5-oxazolyl)methyl]-
CAS No: 114284-41-2 Catalog No: AG000AYN MDL No:
Product Description
Catalog Number:
AG000AYN
Chemical Name:
Benzamide, N-[(4,5-dihydro-2-phenyl-5-oxazolyl)methyl]-
CAS Number:
114284-41-2
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
N-[(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl]benzamide
InChI:
InChI=1S/C17H16N2O2/c20-16(13-7-3-1-4-8-13)18-11-15-12-19-17(21-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,20)
InChI Key:
WJPSTAIKJQRZNI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCC1CN=C(O1)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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