3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid

C29H36ClNO4 — CID 147563340

IUPAC3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CC(=O)C2CC(C(=O)O)CC2c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(Cl)c1
InChIInChI=1S/C29H36ClNO4/c1-15(2)8-17-10-20(11-17)28-26(18-6-7-18)27(31-35-28)23-13-21(29(33)34)12-22(23)25(32)14-19-5-4-16(3)9-24(19)30/h4-5,9,15,17-18,20-23H,6-8,10-14H2,1-3H3,(H,33,34)
InChIKeyFTBJLWGMAKPOLZ-UHFFFAOYSA-N
MW498.06 g/mol
LogP7.06
Rot. Bonds9

About 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid

3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid (PubChem CID 147563340) has the molecular formula C29H36ClNO4 and a molecular weight of 498.06 g/mol. Its IUPAC name is 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid
PubChem CID147563340
Molecular FormulaC29H36ClNO4
Molecular Weight498.06 g/mol
Exact Mass497.23
IUPAC Name3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CC(=O)C2CC(C(=O)O)CC2c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(Cl)c1
InChIInChI=1S/C29H36ClNO4/c1-15(2)8-17-10-20(11-17)28-26(18-6-7-18)27(31-35-28)23-13-21(29(33)34)12-22(23)25(32)14-19-5-4-16(3)9-24(19)30/h4-5,9,15,17-18,20-23H,6-8,10-14H2,1-3H3,(H,33,34)
InChIKeyFTBJLWGMAKPOLZ-UHFFFAOYSA-N
XLogP7.06
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.06
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-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

(1R,3S,4S)-3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid
CID 147563339
(1R,3R,4R)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[2-(2,4-dimethylphenyl)acetyl]cyclopentane-1-carboxylic acid
CID 159878135
methyl (1R,3R,4R)-3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylate
CID 157316650
7-(2-chloro-4-methylphenyl)-4-[4-cyclopropyl-5-[4-(2-methylpropyl)cyclohexyl]-1,2-oxazol-3-yl]-6-oxoheptanoic acid
CID 157223287
(3R)-5-(2-chloro-5-methylanilino)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-oxopentanoic acid
CID 71127467
tert-butyl 5-(2-chloro-4-methylanilino)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-oxopentanoate
CID 71134796
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid
CID 71135782
(1R,2R,4R)-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-N-(4-ethyl-2-methylphenyl)-4-(hydroxymethoxymethyl)cyclopentane-1-carboxamide
CID 134173299
3-[(2S)-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-(2,4-dimethylphenyl)-4-oxopentyl]-4H-1,2-oxazol-5-one
CID 147352057
(4S)-4-[5-[3-(2-carboxy-2-methylpropyl)cyclobutyl]-4-cyclopropyl-1,2-oxazol-3-yl]-7-(2-chloro-4-methylphenyl)-6-oxoheptanoic acid
CID 158242736
(3R)-3-[[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-4-(2,4-dimethylanilino)-4-oxobutanoic acid
CID 121345919
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid (CID 147563340) is 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid is Cc1ccc(CC(=O)C2CC(C(=O)O)CC2c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(Cl)c1.
What is the InChIKey of 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid?
The InChIKey is FTBJLWGMAKPOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClNO4/c1-15(2)8-17-10-20(11-17)28-26(18-6-7-18)27(31-35-28)23-13-21(29(33)34)12-22(23)25(32)14-19-5-4-16(3)9-24(19)30/h4-5,9,15,17-18,20-23H,6-8,10-14H2,1-3H3,(H,33,34).
What are the key properties of 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid?
3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid has a molecular weight of 498.06 g/mol, XLogP of 7.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-4-methylphenyl)acetyl]-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 147563340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).