N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H19N3O3 — CID 46493049

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C20H19N3O3/c24-19-10-5-11-23(19)16-9-4-8-15(12-16)21-20(25)18-13-17(22-26-18)14-6-2-1-3-7-14/h1-4,6-9,12,18H,5,10-11,13H2,(H,21,25)
InChIKeyLMAMEOOHUULKND-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.95
Rot. Bonds4

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46493049) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46493049
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C20H19N3O3/c24-19-10-5-11-23(19)16-9-4-8-15(12-16)21-20(25)18-13-17(22-26-18)14-6-2-1-3-7-14/h1-4,6-9,12,18H,5,10-11,13H2,(H,21,25)
InChIKeyLMAMEOOHUULKND-UHFFFAOYSA-N
XLogP2.95
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784633
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
1-cyclopentyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71912128
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55668689
N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-2-carboxamide
CID 119724536
(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 26955907
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 26955894

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46493049) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LMAMEOOHUULKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19-10-5-11-23(19)16-9-4-8-15(12-16)21-20(25)18-13-17(22-26-18)14-6-2-1-3-7-14/h1-4,6-9,12,18H,5,10-11,13H2,(H,21,25).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46493049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).