[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C23H24F3N3O2 — CID 45210993

About [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 45210993) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

• Compound Name: [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
• PubChem CID: 45210993
• Molecular Formula: C23H24F3N3O2
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.18
• IUPAC Name: [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C(O)c2ccccn2)CC1
• InChI: InChI=1S/C23H24F3N3O2/c1-15-20(28-22(31-15)17-5-7-18(8-6-17)23(24,25)26)14-29-12-9-16(10-13-29)21(30)19-4-2-3-11-27-19/h2-8,11,16,21,30H,9-10,12-14H2,1H3
• InChIKey: NWRTZBYKDZKCLG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?

The IUPAC name of [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 45210993) is [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

What is the SMILES notation for [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?

The canonical SMILES for [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C(O)c2ccccn2)CC1.

What is the InChIKey of [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?

The InChIKey is NWRTZBYKDZKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-15-20(28-22(31-15)17-5-7-18(8-6-17)23(24,25)26)14-29-12-9-16(10-13-29)21(30)19-4-2-3-11-27-19/h2-8,11,16,21,30H,9-10,12-14H2,1H3.

What are the key properties of [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?

[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 431.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 45210993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).