1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H23N3O3 — CID 136521459

IUPAC1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)o1
InChIInChI=1S/C19H23N3O3/c1-11-6-5-7-16(13(11)3)22-10-15(8-17(22)23)18(24)21-14(4)19-20-9-12(2)25-19/h5-7,9,14-15H,8,10H2,1-4H3,(H,21,24)
InChIKeyKUESMFZPEZTQKZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.83
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136521459) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID136521459
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)o1
InChIInChI=1S/C19H23N3O3/c1-11-6-5-7-16(13(11)3)22-10-15(8-17(22)23)18(24)21-14(4)19-20-9-12(2)25-19/h5-7,9,14-15H,8,10H2,1-4H3,(H,21,24)
InChIKeyKUESMFZPEZTQKZ-UHFFFAOYSA-N
XLogP2.83
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 26882760
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 35509762
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42997194
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
1-(2,3-dimethylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 46651550
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
1-(2,3-dimethylphenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 56533167
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 136521459) is 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cnc(C(C)NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)o1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KUESMFZPEZTQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-6-5-7-16(13(11)3)22-10-15(8-17(22)23)18(24)21-14(4)19-20-9-12(2)25-19/h5-7,9,14-15H,8,10H2,1-4H3,(H,21,24).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136521459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).