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

C23H17F2N5O3S — CID 43062781

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 43062781) has the molecular formula C23H17F2N5O3S and a molecular weight of 481.48 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(3,4-difluorophenyl)-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-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 43062781
• Molecular Formula: C23H17F2N5O3S
• Molecular Weight: 481.48 g/mol
• Exact Mass: 481.10
• IUPAC Name: 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1
• InChI: InChI=1S/C23H17F2N5O3S/c24-15-4-3-14(10-16(15)25)18-12-34-23(28-18)29-20(31)13-5-7-30(8-6-13)22-17(11-26)27-21(33-22)19-2-1-9-32-19/h1-4,9-10,12-13H,5-8H2,(H,28,29,31)
• InChIKey: DZTWAVAMYSCZES-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 108.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.48
LogP ≤ 5	5.06
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-[4-(3,4-difluorophenyl)-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-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 43062781) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(3,4-difluorophenyl)-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-[4-(3,4-difluorophenyl)-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-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1.

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

The InChIKey is DZTWAVAMYSCZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3S/c24-15-4-3-14(10-16(15)25)18-12-34-23(28-18)29-20(31)13-5-7-30(8-6-13)22-17(11-26)27-21(33-22)19-2-1-9-32-19/h1-4,9-10,12-13H,5-8H2,(H,28,29,31).

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 481.48 g/mol, XLogP of 5.06, 5 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-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43062781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).