(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

C26H27N3O2S — CID 26407832

About (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 26407832) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

• Compound Name: (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
• PubChem CID: 26407832
• Molecular Formula: C26H27N3O2S
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.18
• IUPAC Name: (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
• SMILES: O[C@H](c1cccs1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1
• InChI: InChI=1S/C26H27N3O2S/c30-25(22-12-7-17-32-22)21-13-15-29(16-14-21)18-23-27-26(28-31-23)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,21,24-25,30H,13-16,18H2/t25-/m0/s1
• InChIKey: AFGTVLYILURSCZ-VWLOTQADSA-N
• XLogP: 5.26
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

The IUPAC name of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 26407832) is (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

What is the SMILES notation for (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

The canonical SMILES for (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is O[C@H](c1cccs1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1.

What is the InChIKey of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

The InChIKey is AFGTVLYILURSCZ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27N3O2S/c30-25(22-12-7-17-32-22)21-13-15-29(16-14-21)18-23-27-26(28-31-23)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,21,24-25,30H,13-16,18H2/t25-/m0/s1.

What are the key properties of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 445.59 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 26407832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).