[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone

C25H23FN4O2S — CID 110120172

About [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone

[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone (PubChem CID 110120172) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone.

Molecular Properties

• Compound Name: [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
• PubChem CID: 110120172
• Molecular Formula: C25H23FN4O2S
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.15
• IUPAC Name: [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
• SMILES: Cc1ncsc1-c1cc(C(=O)N2CCCC(c3ncc(Cc4cccc(F)c4)o3)C2)ccn1
• InChI: InChI=1S/C25H23FN4O2S/c1-16-23(33-15-29-16)22-12-18(7-8-27-22)25(31)30-9-3-5-19(14-30)24-28-13-21(32-24)11-17-4-2-6-20(26)10-17/h2,4,6-8,10,12-13,15,19H,3,5,9,11,14H2,1H3
• InChIKey: QTEYLRVTHHHJAD-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?

The IUPAC name of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone (CID 110120172) is [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone.

What is the SMILES notation for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?

The canonical SMILES for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone is Cc1ncsc1-c1cc(C(=O)N2CCCC(c3ncc(Cc4cccc(F)c4)o3)C2)ccn1.

What is the InChIKey of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?

The InChIKey is QTEYLRVTHHHJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-16-23(33-15-29-16)22-12-18(7-8-27-22)25(31)30-9-3-5-19(14-30)24-28-13-21(32-24)11-17-4-2-6-20(26)10-17/h2,4,6-8,10,12-13,15,19H,3,5,9,11,14H2,1H3.

What are the key properties of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone?

[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone has a molecular weight of 462.55 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 110120172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).