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33161-97-6 | 4,5-diphenyl-2-[2-(pyrrolidin-1-yl)ethyl]-1,3-oxazole hydrochloride(1:1)
CAS No: 33161-97-6 Catalog No: AG007HA1 MDL No:
Product Description
Catalog Number:
AG007HA1
Chemical Name:
4,5-diphenyl-2-[2-(pyrrolidin-1-yl)ethyl]-1,3-oxazole hydrochloride(1:1)
CAS Number:
33161-97-6
Molecular Formula:
C21H23ClN2O
Molecular Weight:
354.8731
IUPAC Name:
4,5-diphenyl-2-(2-pyrrolidin-1-ylethyl)-1,3-oxazole;hydrochloride
InChI:
InChI=1S/C21H22N2O.ClH/c1-3-9-17(10-4-1)20-21(18-11-5-2-6-12-18)24-19(22-20)13-16-23-14-7-8-15-23;/h1-6,9-12H,7-8,13-16H2;1H
InChI Key:
FTZVKHUJMVBBLR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1oc(nc1c1ccccc1)CCN1CCCC1.Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.878g/mol
Monoisotopic Mass:
354.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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