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Home > Indoles and Oxindole > 97485-17-1
97485-17-1 | 5(4H)-Oxazolone, 4-(1H-indol-3-ylmethyl)-2-phenyl-
CAS No: 97485-17-1 Catalog No: AG00H8XA MDL No:
Product Description
Catalog Number:
AG00H8XA
Chemical Name:
5(4H)-Oxazolone, 4-(1H-indol-3-ylmethyl)-2-phenyl-
CAS Number:
97485-17-1
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
4-(1H-indol-3-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C18H14N2O2/c21-18-16(20-17(22-18)12-6-2-1-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15/h1-9,11,16,19H,10H2
InChI Key:
XHIVMGAINOFTFU-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1Cc1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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