2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide

C34H42N6O4 — CID 71234222

About 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 71234222) has the molecular formula C34H42N6O4 and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 71234222
• Molecular Formula: C34H42N6O4
• Molecular Weight: 598.75 g/mol
• Exact Mass: 598.33
• IUPAC Name: 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)(C)CN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1
• InChI: InChI=1S/C34H42N6O4/c1-23-7-4-5-8-28(23)38-15-17-39(18-16-38)29-13-12-25(31(42)35-21-34(2,3)22-40-14-6-9-30(40)41)19-26(29)36-32(43)27-20-44-33(37-27)24-10-11-24/h4-5,7-8,12-13,19-20,24H,6,9-11,14-18,21-22H2,1-3H3,(H,35,42)(H,36,43)
• InChIKey: XIGCENJYYDRTQV-UHFFFAOYSA-N
• XLogP: 4.82
• 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	598.75
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide (CID 71234222) is 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide is Cc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)(C)CN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1.

What is the InChIKey of 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is XIGCENJYYDRTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O4/c1-23-7-4-5-8-28(23)38-15-17-39(18-16-38)29-13-12-25(31(42)35-21-34(2,3)22-40-14-6-9-30(40)41)19-26(29)36-32(43)27-20-44-33(37-27)24-10-11-24/h4-5,7-8,12-13,19-20,24H,6,9-11,14-18,21-22H2,1-3H3,(H,35,42)(H,36,43).

What are the key properties of 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide?

2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 598.75 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71234222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).