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

C25H21N5O5 — CID 46600403

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 46600403) has the molecular formula C25H21N5O5 and a molecular weight of 471.47 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
• PubChem CID: 46600403
• Molecular Formula: C25H21N5O5
• Molecular Weight: 471.47 g/mol
• Exact Mass: 471.15
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)CC1
• InChI: InChI=1S/C25H21N5O5/c26-15-19-25(35-24(29-19)21-7-3-13-34-21)30-10-8-16(9-11-30)22(31)27-17-4-1-5-18(14-17)28-23(32)20-6-2-12-33-20/h1-7,12-14,16H,8-11H2,(H,27,31)(H,28,32)
• InChIKey: NGNNQAMXELPPPK-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 137.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.47
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 46600403) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)CC1.

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

The InChIKey is NGNNQAMXELPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O5/c26-15-19-25(35-24(29-19)21-7-3-13-34-21)30-10-8-16(9-11-30)22(31)27-17-4-1-5-18(14-17)28-23(32)20-6-2-12-33-20/h1-7,12-14,16H,8-11H2,(H,27,31)(H,28,32).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 471.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46600403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).