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

C25H23FN4O2S — CID 110121434

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

[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone (PubChem CID 110121434) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is [2-[5-[(4-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: [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
• PubChem CID: 110121434
• Molecular Formula: C25H23FN4O2S
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.15
• IUPAC Name: [2-[5-[(4-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)N2CCCCC2c2ncc(Cc3ccc(F)cc3)o2)ccn1
• InChI: InChI=1S/C25H23FN4O2S/c1-16-23(33-15-29-16)21-13-18(9-10-27-21)25(31)30-11-3-2-4-22(30)24-28-14-20(32-24)12-17-5-7-19(26)8-6-17/h5-10,13-15,22H,2-4,11-12H2,1H3
• InChIKey: XXYKWXWZKKTEGH-UHFFFAOYSA-N
• XLogP: 5.60
• 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	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-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 [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone (CID 110121434) is [2-[5-[(4-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 [2-[5-[(4-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 [2-[5-[(4-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)N2CCCCC2c2ncc(Cc3ccc(F)cc3)o2)ccn1.

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

The InChIKey is XXYKWXWZKKTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-16-23(33-15-29-16)21-13-18(9-10-27-21)25(31)30-11-3-2-4-22(30)24-28-14-20(32-24)12-17-5-7-19(26)8-6-17/h5-10,13-15,22H,2-4,11-12H2,1H3.

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

[2-[5-[(4-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 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[(4-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 110121434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).