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

C24H22N4O2S — CID 124987206

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

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (PubChem CID 124987206) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• PubChem CID: 124987206
• Molecular Formula: C24H22N4O2S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.15
• IUPAC Name: [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• SMILES: O=C(c1cccnc1-c1cncs1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
• InChI: InChI=1S/C24H22N4O2S/c29-24(20-9-4-10-26-22(20)21-14-25-16-31-21)28-11-5-8-18(15-28)23-27-13-19(30-23)12-17-6-2-1-3-7-17/h1-4,6-7,9-10,13-14,16,18H,5,8,11-12,15H2/t18-/m1/s1
• InChIKey: ODYKVMCGJNGXMG-GOSISDBHSA-N
• XLogP: 4.80
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (CID 124987206) is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

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

The canonical SMILES for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is O=C(c1cccnc1-c1cncs1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1.

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

The InChIKey is ODYKVMCGJNGXMG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-24(20-9-4-10-26-22(20)21-14-25-16-31-21)28-11-5-8-18(15-28)23-27-13-19(30-23)12-17-6-2-1-3-7-17/h1-4,6-7,9-10,13-14,16,18H,5,8,11-12,15H2/t18-/m1/s1.

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

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone has a molecular weight of 430.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 124987206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).