2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide

C34H40N6O4 — CID 71234234

About 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 71234234) has the molecular formula C34H40N6O4 and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 71234234
• Molecular Formula: C34H40N6O4
• Molecular Weight: 596.73 g/mol
• Exact Mass: 596.31
• IUPAC Name: 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3C(=O)[C@@H]4CC[C@H]3C4)cc2NC(=O)c2coc(C3CC3)n2)CC1
• InChI: InChI=1S/C34H40N6O4/c1-22-5-2-3-6-29(22)38-15-17-39(18-16-38)30-12-10-24(20-27(30)36-32(42)28-21-44-33(37-28)23-7-8-23)31(41)35-13-4-14-40-26-11-9-25(19-26)34(40)43/h2-3,5-6,10,12,20-21,23,25-26H,4,7-9,11,13-19H2,1H3,(H,35,41)(H,36,42)/t25-,26+/m1/s1
• InChIKey: WYTZTTQVLCFOQL-FTJBHMTQSA-N
• XLogP: 4.57
• TPSA: 111.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.73
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide (CID 71234234) is 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide is Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3C(=O)[C@@H]4CC[C@H]3C4)cc2NC(=O)c2coc(C3CC3)n2)CC1.

What is the InChIKey of 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is WYTZTTQVLCFOQL-FTJBHMTQSA-N. The full InChI is InChI=1S/C34H40N6O4/c1-22-5-2-3-6-29(22)38-15-17-39(18-16-38)30-12-10-24(20-27(30)36-32(42)28-21-44-33(37-28)23-7-8-23)31(41)35-13-4-14-40-26-11-9-25(19-26)34(40)43/h2-3,5-6,10,12,20-21,23,25-26H,4,7-9,11,13-19H2,1H3,(H,35,41)(H,36,42)/t25-,26+/m1/s1.

What are the key properties of 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?

2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 596.73 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71234234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).