(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C17H21N3O2 — CID 94138869

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC[C@H]2c2cc(C)no2)c1
InChIInChI=1S/C17H21N3O2/c1-11-6-7-12(2)14(9-11)18-17(21)20-8-4-5-15(20)16-10-13(3)19-22-16/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyIAHSFLJCKIFHIN-HNNXBMFYSA-N
MW299.37 g/mol
LogP3.97
Rot. Bonds2

About (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 94138869) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID94138869
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC[C@H]2c2cc(C)no2)c1
InChIInChI=1S/C17H21N3O2/c1-11-6-7-12(2)14(9-11)18-17(21)20-8-4-5-15(20)16-10-13(3)19-22-16/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyIAHSFLJCKIFHIN-HNNXBMFYSA-N
XLogP3.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001543
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079891
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139306
(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 125155904
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070315
N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001152
N-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096429
N-(5-cyclopropyl-2-pyridinyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 136564263

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 94138869) is (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2cc(C)no2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is IAHSFLJCKIFHIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-7-12(2)14(9-11)18-17(21)20-8-4-5-15(20)16-10-13(3)19-22-16/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94138869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).