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

C25H24N4O2S — CID 124999880

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

[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone (PubChem CID 124999880) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is [(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
• PubChem CID: 124999880
• Molecular Formula: C25H24N4O2S
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.16
• IUPAC Name: [(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
• SMILES: Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1
• InChI: InChI=1S/C25H24N4O2S/c1-17-23(32-16-28-17)22-21(10-5-11-26-22)25(30)29-12-6-9-19(15-29)24-27-14-20(31-24)13-18-7-3-2-4-8-18/h2-5,7-8,10-11,14,16,19H,6,9,12-13,15H2,1H3/t19-/m0/s1
• InChIKey: RRYUYWJTRQHXBL-IBGZPJMESA-N
• XLogP: 5.11
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone (CID 124999880) is [(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone.

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

The canonical SMILES for [(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone is Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1.

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

The InChIKey is RRYUYWJTRQHXBL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-17-23(32-16-28-17)22-21(10-5-11-26-22)25(30)29-12-6-9-19(15-29)24-27-14-20(31-24)13-18-7-3-2-4-8-18/h2-5,7-8,10-11,14,16,19H,6,9,12-13,15H2,1H3/t19-/m0/s1.

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

[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone has a molecular weight of 444.56 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 124999880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).