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

C30H38N2O4 — CID 147352057

About 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

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 (PubChem CID 147352057) has the molecular formula C30H38N2O4 and a molecular weight of 490.64 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 147352057
• Molecular Formula: C30H38N2O4
• Molecular Weight: 490.64 g/mol
• Exact Mass: 490.28
• IUPAC Name: 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
• SMILES: Cc1ccc(CC(=O)C[C@H](CC2=NOC(=O)C2)c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(C)c1
• InChI: InChI=1S/C30H38N2O4/c1-17(2)9-20-11-24(12-20)30-28(21-7-8-21)29(32-36-30)23(13-25-16-27(34)35-31-25)15-26(33)14-22-6-5-18(3)10-19(22)4/h5-6,10,17,20-21,23-24H,7-9,11-16H2,1-4H3/t20?,23-,24?/m0/s1
• InChIKey: DFOZVTKBQUMWHJ-GWHCDVRWSA-N
• XLogP: 6.69
• TPSA: 81.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.64
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(CC(=O)C[C@H](CC2=NOC(=O)C2)c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(C)c1.

What is the InChIKey of 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?

The InChIKey is DFOZVTKBQUMWHJ-GWHCDVRWSA-N. The full InChI is InChI=1S/C30H38N2O4/c1-17(2)9-20-11-24(12-20)30-28(21-7-8-21)29(32-36-30)23(13-25-16-27(34)35-31-25)15-26(33)14-22-6-5-18(3)10-19(22)4/h5-6,10,17,20-21,23-24H,7-9,11-16H2,1-4H3/t20?,23-,24?/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 490.64 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 147352057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).