[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone

C25H23FN4O2S — CID 124978352

About [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone

[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone (PubChem CID 124978352) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
• PubChem CID: 124978352
• Molecular Formula: C25H23FN4O2S
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.15
• IUPAC Name: [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
• SMILES: Cc1ncsc1-c1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1
• InChI: InChI=1S/C25H23FN4O2S/c1-16-23(33-15-29-16)22-9-6-18(12-27-22)25(31)30-10-2-3-19(14-30)24-28-13-21(32-24)11-17-4-7-20(26)8-5-17/h4-9,12-13,15,19H,2-3,10-11,14H2,1H3/t19-/m0/s1
• InChIKey: LTFFOCMYOMWESD-IBGZPJMESA-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 [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone?

The IUPAC name of [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone (CID 124978352) is [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone.

What is the SMILES notation for [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone?

The canonical SMILES for [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone is Cc1ncsc1-c1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1.

What is the InChIKey of [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone?

The InChIKey is LTFFOCMYOMWESD-IBGZPJMESA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-16-23(33-15-29-16)22-9-6-18(12-27-22)25(31)30-10-2-3-19(14-30)24-28-13-21(32-24)11-17-4-7-20(26)8-5-17/h4-9,12-13,15,19H,2-3,10-11,14H2,1H3/t19-/m0/s1.

What are the key properties of [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone?

[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-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 [(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 124978352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).