N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

C17H19N3O3 — CID 3160086

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)no1
InChIInChI=1S/C17H19N3O3/c1-11-8-15(19-23-11)18-17(22)14-9-16(21)20(10-14)12(2)13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3,(H,18,19,22)
InChIKeyLEPHACLGRCVKFM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.53
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 3160086) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID3160086
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)no1
InChIInChI=1S/C17H19N3O3/c1-11-8-15(19-23-11)18-17(22)14-9-16(21)20(10-14)12(2)13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3,(H,18,19,22)
InChIKeyLEPHACLGRCVKFM-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875814
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
(3R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 7394287
2-[3-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125152670
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
(3R)-5-oxo-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 7220338
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
(3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40974865
4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
CID 9004705

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 3160086) is N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is LEPHACLGRCVKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-8-15(19-23-11)18-17(22)14-9-16(21)20(10-14)12(2)13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3160086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).