(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

C30H39NO4 — CID 159878135

About (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

(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 (PubChem CID 159878135) has the molecular formula C30H39NO4 and a molecular weight of 477.65 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 159878135
• Molecular Formula: C30H39NO4
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.29
• IUPAC Name: (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
• SMILES: Cc1ccc(CC(=O)[C@@H]2C[C@H](C(=O)O)C[C@H]2c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(C)c1
• InChI: InChI=1S/C30H39NO4/c1-16(2)9-19-11-22(12-19)29-27(20-7-8-20)28(31-35-29)25-14-23(30(33)34)13-24(25)26(32)15-21-6-5-17(3)10-18(21)4/h5-6,10,16,19-20,22-25H,7-9,11-15H2,1-4H3,(H,33,34)/t19?,22?,23-,24+,25+/m0/s1
• InChIKey: SERGJOJZCVHROU-LAQZDCEYSA-N
• XLogP: 6.71
• TPSA: 80.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is Cc1ccc(CC(=O)[C@@H]2C[C@H](C(=O)O)C[C@H]2c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(C)c1.

What is the InChIKey of (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?

The InChIKey is SERGJOJZCVHROU-LAQZDCEYSA-N. The full InChI is InChI=1S/C30H39NO4/c1-16(2)9-19-11-22(12-19)29-27(20-7-8-20)28(31-35-29)25-14-23(30(33)34)13-24(25)26(32)15-21-6-5-17(3)10-18(21)4/h5-6,10,16,19-20,22-25H,7-9,11-15H2,1-4H3,(H,33,34)/t19?,22?,23-,24+,25+/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 477.65 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 159878135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).