1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide

C25H28FN3O5S — CID 92875149

About 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide

1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 92875149) has the molecular formula C25H28FN3O5S and a molecular weight of 501.58 g/mol. Its IUPAC name is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide
• PubChem CID: 92875149
• Molecular Formula: C25H28FN3O5S
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.17
• IUPAC Name: 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide
• SMILES: Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)Cc2ccco2)CC1
• InChI: InChI=1S/C25H28FN3O5S/c1-17(16-21-7-5-15-33-21)27-25(30)20-11-13-29(14-12-20)35(31,32)24-18(2)28-34-23(24)10-9-19-6-3-4-8-22(19)26/h3-10,15,17,20H,11-14,16H2,1-2H3,(H,27,30)/b10-9+/t17-/m1/s1
• InChIKey: AHEGVAFHIKSPLS-OAGJVSPASA-N
• XLogP: 4.03
• TPSA: 105.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide (CID 92875149) is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide is Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)Cc2ccco2)CC1.

What is the InChIKey of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide?

The InChIKey is AHEGVAFHIKSPLS-OAGJVSPASA-N. The full InChI is InChI=1S/C25H28FN3O5S/c1-17(16-21-7-5-15-33-21)27-25(30)20-11-13-29(14-12-20)35(31,32)24-18(2)28-34-23(24)10-9-19-6-3-4-8-22(19)26/h3-10,15,17,20H,11-14,16H2,1-2H3,(H,27,30)/b10-9+/t17-/m1/s1.

What are the key properties of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide?

1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92875149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).