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131862-20-9 | 4-Benzoxazolecarboxamide, N-[2-(dimethylamino)ethyl]-2-phenyl-
CAS No: 131862-20-9 Catalog No: AG000ZTX MDL No:
Product Description
Catalog Number:
AG000ZTX
Chemical Name:
4-Benzoxazolecarboxamide, N-[2-(dimethylamino)ethyl]-2-phenyl-
CAS Number:
131862-20-9
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
N-[2-(dimethylamino)ethyl]-2-phenyl-1,3-benzoxazole-4-carboxamide
InChI:
InChI=1S/C18H19N3O2/c1-21(2)12-11-19-17(22)14-9-6-10-15-16(14)20-18(23-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,22)
InChI Key:
DLMVVDUVGYXJMF-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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