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

C23H21N7O3 — CID 55907630

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 55907630) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
• PubChem CID: 55907630
• Molecular Formula: C23H21N7O3
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.17
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Cn2cncn2)CC1
• InChI: InChI=1S/C23H21N7O3/c24-12-19-23(33-22(28-19)20-6-3-11-32-20)29-9-7-16(8-10-29)21(31)27-18-5-2-1-4-17(18)13-30-15-25-14-26-30/h1-6,11,14-16H,7-10,13H2,(H,27,31)
• InChIKey: YPTGKNUZCOXZLL-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 126.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide (CID 55907630) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Cn2cncn2)CC1.

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

The InChIKey is YPTGKNUZCOXZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c24-12-19-23(33-22(28-19)20-6-3-11-32-20)29-9-7-16(8-10-29)21(31)27-18-5-2-1-4-17(18)13-30-15-25-14-26-30/h1-6,11,14-16H,7-10,13H2,(H,27,31).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55907630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).