2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile

C25H25FN4O — CID 171145905

About 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile

2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile (PubChem CID 171145905) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
• PubChem CID: 171145905
• Molecular Formula: C25H25FN4O
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.20
• IUPAC Name: 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
• SMILES: N#Cc1nc(C=Cc2ccc(F)cc2)oc1NCC(c1ccccc1)N1CCCCC1
• InChI: InChI=1S/C25H25FN4O/c26-21-12-9-19(10-13-21)11-14-24-29-22(17-27)25(31-24)28-18-23(20-7-3-1-4-8-20)30-15-5-2-6-16-30/h1,3-4,7-14,23,28H,2,5-6,15-16,18H2
• InChIKey: RYUNBGRSLVRJCC-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 65.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile?

The IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile (CID 171145905) is 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C=Cc2ccc(F)cc2)oc1NCC(c1ccccc1)N1CCCCC1.

What is the InChIKey of 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile?

The InChIKey is RYUNBGRSLVRJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-21-12-9-19(10-13-21)11-14-24-29-22(17-27)25(31-24)28-18-23(20-7-3-1-4-8-20)30-15-5-2-6-16-30/h1,3-4,7-14,23,28H,2,5-6,15-16,18H2.

What are the key properties of 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile?

2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 416.50 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 171145905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).