1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H19N3O3 — CID 3160079

IUPAC1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-3-12-4-6-14(7-5-12)20-10-13(9-16(20)21)17(22)18-15-8-11(2)23-19-15/h4-8,13H,3,9-10H2,1-2H3,(H,18,19,22)
InChIKeySKZCNKYWVPEJOP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3160079) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3160079
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-3-12-4-6-14(7-5-12)20-10-13(9-16(20)21)17(22)18-15-8-11(2)23-19-15/h4-8,13H,3,9-10H2,1-2H3,(H,18,19,22)
InChIKeySKZCNKYWVPEJOP-UHFFFAOYSA-N
XLogP2.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953287
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953837
3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)urea
CID 728587
4-[(cyclopropylcarbonyl)amino]-N-(5-methyl-3-isoxazolyl)benzamide
CID 934489
1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
1-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160150
5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164236
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)piperidine-4-carboxamide
CID 46883325
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953838
N-(2,4-Dimethyl-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 647551

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 3160079) is 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SKZCNKYWVPEJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-12-4-6-14(7-5-12)20-10-13(9-16(20)21)17(22)18-15-8-11(2)23-19-15/h4-8,13H,3,9-10H2,1-2H3,(H,18,19,22).
What are the key properties of 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3160079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).