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113758-86-4 | Methanone, [3-[1-(5-amino-3-isoxazolyl)ethyl]phenyl]phenyl-
CAS No: 113758-86-4 Catalog No: AG0009LI MDL No:
Product Description
Catalog Number:
AG0009LI
Chemical Name:
Methanone, [3-[1-(5-amino-3-isoxazolyl)ethyl]phenyl]phenyl-
CAS Number:
113758-86-4
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
[3-[1-(5-amino-1,2-oxazol-3-yl)ethyl]phenyl]-phenylmethanone
InChI:
InChI=1S/C18H16N2O2/c1-12(16-11-17(19)22-20-16)14-8-5-9-15(10-14)18(21)13-6-3-2-4-7-13/h2-12H,19H2,1H3
InChI Key:
AXVUDZWAOQSWOG-UHFFFAOYSA-N
SMILES:
Nc1onc(c1)C(c1cccc(c1)C(=O)c1ccccc1)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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