N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide

C21H24N4O3 — CID 121110608

About N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide

N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide (PubChem CID 121110608) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide
• PubChem CID: 121110608
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1)C1CC1
• InChI: InChI=1S/C21H24N4O3/c26-19(17-8-9-17)23-21-22-18(15-28-21)20(27)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-7,15,17H,8-14H2,(H,22,23,26)/b7-4+
• InChIKey: KPMJBUILCGICNY-QPJJXVBHSA-N
• XLogP: 2.49
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide (CID 121110608) is N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1)C1CC1.

What is the InChIKey of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide?

The InChIKey is KPMJBUILCGICNY-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19(17-8-9-17)23-21-22-18(15-28-21)20(27)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-7,15,17H,8-14H2,(H,22,23,26)/b7-4+.

What are the key properties of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide?

N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121110608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).