(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide

C25H24N4O3 — CID 1457501

About (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide

(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide (PubChem CID 1457501) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide
• PubChem CID: 1457501
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide
• SMILES: Cc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)n2)o1
• InChI: InChI=1S/C25H24N4O3/c1-17-13-14-22(31-17)23-27-24(32-28-23)19-10-7-15-29(16-19)25(30)26-21-12-6-5-11-20(21)18-8-3-2-4-9-18/h2-6,8-9,11-14,19H,7,10,15-16H2,1H3,(H,26,30)/t19-/m0/s1
• InChIKey: NIFYHXMPJUSZBC-IBGZPJMESA-N
• XLogP: 5.72
• TPSA: 84.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide?

The IUPAC name of (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide (CID 1457501) is (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide.

What is the SMILES notation for (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide?

The canonical SMILES for (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide is Cc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)n2)o1.

What is the InChIKey of (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide?

The InChIKey is NIFYHXMPJUSZBC-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-13-14-22(31-17)23-27-24(32-28-23)19-10-7-15-29(16-19)25(30)26-21-12-6-5-11-20(21)18-8-3-2-4-9-18/h2-6,8-9,11-14,19H,7,10,15-16H2,1H3,(H,26,30)/t19-/m0/s1.

What are the key properties of (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide?

(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1457501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).