[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C15H12F3N7O2 — CID 129417243

About [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 129417243) has the molecular formula C15H12F3N7O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 129417243
• Molecular Formula: C15H12F3N7O2
• Molecular Weight: 379.30 g/mol
• Exact Mass: 379.10
• IUPAC Name: [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1
• InChI: InChI=1S/C15H12F3N7O2/c16-15(17,18)14-20-12(21-27-14)10-4-5-24(7-10)13(26)9-2-1-3-11(6-9)25-8-19-22-23-25/h1-3,6,8,10H,4-5,7H2/t10-/m1/s1
• InChIKey: MLHPIHFLQUMVJC-SNVBAGLBSA-N
• XLogP: 1.69
• TPSA: 102.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.30
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 129417243) is [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1.

What is the InChIKey of [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The InChIKey is MLHPIHFLQUMVJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12F3N7O2/c16-15(17,18)14-20-12(21-27-14)10-4-5-24(7-10)13(26)9-2-1-3-11(6-9)25-8-19-22-23-25/h1-3,6,8,10H,4-5,7H2/t10-/m1/s1.

What are the key properties of [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 379.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129417243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).