N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C23H30N4O2 — CID 29028952

About N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 29028952) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 29028952
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
• SMILES: O=C(NC1CCCC1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
• InChI: InChI=1S/C23H30N4O2/c28-23(24-20-10-4-5-11-20)21-18-29-22(25-21)17-27-15-13-26(14-16-27)12-6-9-19-7-2-1-3-8-19/h1-3,6-9,18,20H,4-5,10-17H2,(H,24,28)/b9-6+
• InChIKey: CBAULHBLHGMHSH-RMKNXTFCSA-N
• XLogP: 3.18
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 29028952) is N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(NC1CCCC1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1.

What is the InChIKey of N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?

The InChIKey is CBAULHBLHGMHSH-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-23(24-20-10-4-5-11-20)21-18-29-22(25-21)17-27-15-13-26(14-16-27)12-6-9-19-7-2-1-3-8-19/h1-3,6-9,18,20H,4-5,10-17H2,(H,24,28)/b9-6+.

What are the key properties of N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?

N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 29028952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).