N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide

C27H27N5O4 — CID 154054278

About N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide

N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 154054278) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 154054278
• Molecular Formula: C27H27N5O4
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.21
• IUPAC Name: N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
• SMILES: Cc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccno4)ccc3O)cc2C2CCCC2)cc1
• InChI: InChI=1S/C27H27N5O4/c1-17-6-8-18(9-7-17)16-28-27(35)32-23(19-4-2-3-5-19)15-22(31-32)21-14-20(10-11-24(21)33)30-26(34)25-12-13-29-36-25/h6-15,19,33H,2-5,16H2,1H3,(H,28,35)(H,30,34)
• InChIKey: UBZLXOWHKDXLFJ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 122.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide (CID 154054278) is N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccno4)ccc3O)cc2C2CCCC2)cc1.

What is the InChIKey of N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?

The InChIKey is UBZLXOWHKDXLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-17-6-8-18(9-7-17)16-28-27(35)32-23(19-4-2-3-5-19)15-22(31-32)21-14-20(10-11-24(21)33)30-26(34)25-12-13-29-36-25/h6-15,19,33H,2-5,16H2,1H3,(H,28,35)(H,30,34).

What are the key properties of N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide?

N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154054278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).