N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C24H22N6O3 — CID 46600329

About N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 46600329) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
• PubChem CID: 46600329
• Molecular Formula: C24H22N6O3
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.18
• IUPAC Name: N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccnn2Cc2ccccc2)CC1
• InChI: InChI=1S/C24H22N6O3/c25-15-19-24(33-23(27-19)20-7-4-14-32-20)29-12-9-18(10-13-29)22(31)28-21-8-11-26-30(21)16-17-5-2-1-3-6-17/h1-8,11,14,18H,9-10,12-13,16H2,(H,28,31)
• InChIKey: ASFXXCICGQUZFI-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 113.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?

The IUPAC name of N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 46600329) is N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccnn2Cc2ccccc2)CC1.

What is the InChIKey of N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?

The InChIKey is ASFXXCICGQUZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c25-15-19-24(33-23(27-19)20-7-4-14-32-20)29-12-9-18(10-13-29)22(31)28-21-8-11-26-30(21)16-17-5-2-1-3-6-17/h1-8,11,14,18H,9-10,12-13,16H2,(H,28,31).

What are the key properties of N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?

N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46600329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).