2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid

C15H16N2O3 — CID 166240100

IUPAC2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1cccc(C2CCN(c3nc(C(=O)O)co3)C2)c1
InChIInChI=1S/C15H16N2O3/c1-10-3-2-4-11(7-10)12-5-6-17(8-12)15-16-13(9-20-15)14(18)19/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,19)
InChIKeyDUTJHUZIPRNFRU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.68
Rot. Bonds3

About 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 166240100) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID166240100
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1cccc(C2CCN(c3nc(C(=O)O)co3)C2)c1
InChIInChI=1S/C15H16N2O3/c1-10-3-2-4-11(7-10)12-5-6-17(8-12)15-16-13(9-20-15)14(18)19/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,19)
InChIKeyDUTJHUZIPRNFRU-UHFFFAOYSA-N
XLogP2.68
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid 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

2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377249
2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70845901
2-(2,5-dihydropyrrol-1-yl)-1,3-oxazole-4-carboxylic acid
CID 131096590
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610
2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377261
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 134367760
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053185
2-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 166258912
2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid
CID 135099403

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 166240100) is 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid is Cc1cccc(C2CCN(c3nc(C(=O)O)co3)C2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is DUTJHUZIPRNFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-3-2-4-11(7-10)12-5-6-17(8-12)15-16-13(9-20-15)14(18)19/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166240100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).