(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

C31H44N2O4 — CID 134173299

About (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

(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 (PubChem CID 134173299) has the molecular formula C31H44N2O4 and a molecular weight of 508.70 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 134173299
• Molecular Formula: C31H44N2O4
• Molecular Weight: 508.70 g/mol
• Exact Mass: 508.33
• IUPAC Name: (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
• SMILES: CCc1ccc(NC(=O)[C@@H]2C[C@H](COCO)C[C@H]2c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(C)c1
• InChI: InChI=1S/C31H44N2O4/c1-5-20-6-9-27(19(4)11-20)32-31(35)26-15-22(16-36-17-34)14-25(26)29-28(23-7-8-23)30(37-33-29)24-12-21(13-24)10-18(2)3/h6,9,11,18,21-26,34H,5,7-8,10,12-17H2,1-4H3,(H,32,35)/t21?,22-,24?,25-,26-/m1/s1
• InChIKey: MLPBJVJTTYIBQF-FZZFFFIXSA-N
• XLogP: 6.68
• TPSA: 84.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.70
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CCc1ccc(NC(=O)[C@@H]2C[C@H](COCO)C[C@H]2c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(C)c1.

What is the InChIKey of (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?

The InChIKey is MLPBJVJTTYIBQF-FZZFFFIXSA-N. The full InChI is InChI=1S/C31H44N2O4/c1-5-20-6-9-27(19(4)11-20)32-31(35)26-15-22(16-36-17-34)14-25(26)29-28(23-7-8-23)30(37-33-29)24-12-21(13-24)10-18(2)3/h6,9,11,18,21-26,34H,5,7-8,10,12-17H2,1-4H3,(H,32,35)/t21?,22-,24?,25-,26-/m1/s1.

What are the key properties of (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?

(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 has a molecular weight of 508.70 g/mol, XLogP of 6.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 134173299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).