N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

C23H23F2N3O2 — CID 110229075

About N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 110229075) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 110229075
• Molecular Formula: C23H23F2N3O2
• Molecular Weight: 411.45 g/mol
• Exact Mass: 411.18
• IUPAC Name: N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
• SMILES: O=C(NCc1cccc(F)c1)c1cc(C2CCCN(Cc3ccc(F)cc3)C2)no1
• InChI: InChI=1S/C23H23F2N3O2/c24-19-8-6-16(7-9-19)14-28-10-2-4-18(15-28)21-12-22(30-27-21)23(29)26-13-17-3-1-5-20(25)11-17/h1,3,5-9,11-12,18H,2,4,10,13-15H2,(H,26,29)
• InChIKey: IIKBVFCRXZAISI-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.45
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 110229075) is N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is O=C(NCc1cccc(F)c1)c1cc(C2CCCN(Cc3ccc(F)cc3)C2)no1.

What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is IIKBVFCRXZAISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-19-8-6-16(7-9-19)14-28-10-2-4-18(15-28)21-12-22(30-27-21)23(29)26-13-17-3-1-5-20(25)11-17/h1,3,5-9,11-12,18H,2,4,10,13-15H2,(H,26,29).

What are the key properties of N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110229075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).