2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide

C32H42N6O5 — CID 130372982

About 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide (PubChem CID 130372982) has the molecular formula C32H42N6O5 and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 130372982
• Molecular Formula: C32H42N6O5
• Molecular Weight: 590.73 g/mol
• Exact Mass: 590.32
• IUPAC Name: 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccccc1N1CCN(C2(C)C=CC(C(=O)NCCCC(=O)NCCO)=CC2NC(=O)c2coc(C3CC3)n2)CC1
• InChI: InChI=1S/C32H42N6O5/c1-22-6-3-4-7-26(22)37-15-17-38(18-16-37)32(2)12-11-24(29(41)34-13-5-8-28(40)33-14-19-39)20-27(32)36-30(42)25-21-43-31(35-25)23-9-10-23/h3-4,6-7,11-12,20-21,23,27,39H,5,8-10,13-19H2,1-2H3,(H,33,40)(H,34,41)(H,36,42)
• InChIKey: ODYRUFBCOCDEED-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 140.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.73
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide (CID 130372982) is 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide is Cc1ccccc1N1CCN(C2(C)C=CC(C(=O)NCCCC(=O)NCCO)=CC2NC(=O)c2coc(C3CC3)n2)CC1.

What is the InChIKey of 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is ODYRUFBCOCDEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O5/c1-22-6-3-4-7-26(22)37-15-17-38(18-16-37)32(2)12-11-24(29(41)34-13-5-8-28(40)33-14-19-39)20-27(32)36-30(42)25-21-43-31(35-25)23-9-10-23/h3-4,6-7,11-12,20-21,23,27,39H,5,8-10,13-19H2,1-2H3,(H,33,40)(H,34,41)(H,36,42).

What are the key properties of 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide?

2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 590.73 g/mol, XLogP of 2.04, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[3-[[4-(2-hydroxyethylamino)-4-oxobutyl]carbamoyl]-6-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 130372982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).