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

C24H26FN3O3 — CID 110229030

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

3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 110229030) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 110229030
• Molecular Formula: C24H26FN3O3
• Molecular Weight: 423.49 g/mol
• Exact Mass: 423.20
• IUPAC Name: 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cc(C3CCCN(Cc4ccc(F)cc4)C3)no2)c1
• InChI: InChI=1S/C24H26FN3O3/c1-30-21-6-2-4-18(12-21)14-26-24(29)23-13-22(27-31-23)19-5-3-11-28(16-19)15-17-7-9-20(25)10-8-17/h2,4,6-10,12-13,19H,3,5,11,14-16H2,1H3,(H,26,29)
• InChIKey: KMRXSVZTISUUBC-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide (CID 110229030) is 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide.

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

The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide is COc1cccc(CNC(=O)c2cc(C3CCCN(Cc4ccc(F)cc4)C3)no2)c1.

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

The InChIKey is KMRXSVZTISUUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-30-21-6-2-4-18(12-21)14-26-24(29)23-13-22(27-31-23)19-5-3-11-28(16-19)15-17-7-9-20(25)10-8-17/h2,4,6-10,12-13,19H,3,5,11,14-16H2,1H3,(H,26,29).

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

3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110229030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).