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

C25H23N5O3S — CID 43071761

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 43071761) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 43071761
• Molecular Formula: C25H23N5O3S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.15
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1cccc(Cc2cnc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)s2)c1
• InChI: InChI=1S/C25H23N5O3S/c1-16-4-2-5-17(12-16)13-19-15-27-25(34-19)29-22(31)18-7-9-30(10-8-18)24-20(14-26)28-23(33-24)21-6-3-11-32-21/h2-6,11-12,15,18H,7-10,13H2,1H3,(H,27,29,31)
• InChIKey: XVKNOPNHZCGETH-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 108.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
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-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 43071761) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1cccc(Cc2cnc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)s2)c1.

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

The InChIKey is XVKNOPNHZCGETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-16-4-2-5-17(12-16)13-19-15-27-25(34-19)29-22(31)18-7-9-30(10-8-18)24-20(14-26)28-23(33-24)21-6-3-11-32-21/h2-6,11-12,15,18H,7-10,13H2,1H3,(H,27,29,31).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 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-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43071761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).