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

C22H21N3O3 — CID 39003298

IUPAC5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H21N3O3/c1-15-20(24-22(28-15)17-8-3-2-4-9-17)21(27)23-14-16-7-5-10-18(13-16)25-12-6-11-19(25)26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,27)
InChIKeyWUMHLOAQBKQHRN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.71
Rot. Bonds5

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

5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 39003298) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID39003298
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H21N3O3/c1-15-20(24-22(28-15)17-8-3-2-4-9-17)21(27)23-14-16-7-5-10-18(13-16)25-12-6-11-19(25)26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,27)
InChIKeyWUMHLOAQBKQHRN-UHFFFAOYSA-N
XLogP3.71
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
6-methyl-4-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 39516500
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
6-(3-methylphenyl)-2-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 55766212
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide
CID 39004028
1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 51092564
5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 39003298) is 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is WUMHLOAQBKQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-20(24-22(28-15)17-8-3-2-4-9-17)21(27)23-14-16-7-5-10-18(13-16)25-12-6-11-19(25)26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,27).
What are the key properties of 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 39003298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).