2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

C18H21N3O3 — CID 95049623

IUPAC2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)no1
InChIInChI=1S/C18H21N3O3/c1-11-6-7-14(9-12(11)2)15-5-4-8-21(15)18(23)17(22)19-16-10-13(3)24-20-16/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,19,20,22)/t15-/m0/s1
InChIKeyZBVTYMGOJAEZCL-HNNXBMFYSA-N
MW327.38 g/mol
LogP2.90
Rot. Bonds2

About 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 95049623) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID95049623
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)no1
InChIInChI=1S/C18H21N3O3/c1-11-6-7-14(9-12(11)2)15-5-4-8-21(15)18(23)17(22)19-16-10-13(3)24-20-16/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,19,20,22)/t15-/m0/s1
InChIKeyZBVTYMGOJAEZCL-HNNXBMFYSA-N
XLogP2.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide 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

[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 124816489
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 86899254
2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
CID 119034663
1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94824254
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 92633130
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95274537
N-(5-chloro-2-methylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551965

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (CID 95049623) is 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)no1.
What is the InChIKey of 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is ZBVTYMGOJAEZCL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-6-7-14(9-12(11)2)15-5-4-8-21(15)18(23)17(22)19-16-10-13(3)24-20-16/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,19,20,22)/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 327.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 95049623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).