(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one

C21H18FN5O2 — CID 97143504

About (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one

(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one (PubChem CID 97143504) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one
• PubChem CID: 97143504
• Molecular Formula: C21H18FN5O2
• Molecular Weight: 391.41 g/mol
• Exact Mass: 391.14
• IUPAC Name: (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one
• SMILES: O=C1CC[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1cccc(F)c1
• InChI: InChI=1S/C21H18FN5O2/c22-16-3-1-2-13(8-16)10-27-11-15(5-7-19(27)28)21-25-20(26-29-21)14-4-6-17-18(9-14)24-12-23-17/h1-4,6,8-9,12,15H,5,7,10-11H2,(H,23,24)/t15-/m0/s1
• InChIKey: XCWBJBOKPUGFTA-HNNXBMFYSA-N
• XLogP: 3.66
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.41
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one?

The IUPAC name of (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one (CID 97143504) is (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one.

What is the SMILES notation for (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one?

The canonical SMILES for (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one is O=C1CC[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1cccc(F)c1.

What is the InChIKey of (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one?

The InChIKey is XCWBJBOKPUGFTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-16-3-1-2-13(8-16)10-27-11-15(5-7-19(27)28)21-25-20(26-29-21)14-4-6-17-18(9-14)24-12-23-17/h1-4,6,8-9,12,15H,5,7,10-11H2,(H,23,24)/t15-/m0/s1.

What are the key properties of (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one?

(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one has a molecular weight of 391.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 97143504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).