3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol

C15H14F2N6O3 — CID 162443015

About 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol

3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol (PubChem CID 162443015) has the molecular formula C15H14F2N6O3 and a molecular weight of 364.31 g/mol. Its IUPAC name is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol.

Molecular Properties

• Compound Name: 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol
• PubChem CID: 162443015
• Molecular Formula: C15H14F2N6O3
• Molecular Weight: 364.31 g/mol
• Exact Mass: 364.11
• IUPAC Name: 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol
• SMILES: OC1(c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)CCOC1
• InChI: InChI=1S/C15H14F2N6O3/c16-12(17)14-21-20-13(26-14)9-1-2-10(18-5-9)6-23-7-11(19-22-23)15(24)3-4-25-8-15/h1-2,5,7,12,24H,3-4,6,8H2
• InChIKey: GIOHHRQOBPRZIF-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 111.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.31
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol?

The IUPAC name of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol (CID 162443015) is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol.

What is the SMILES notation for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol?

The canonical SMILES for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol is OC1(c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)CCOC1.

What is the InChIKey of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol?

The InChIKey is GIOHHRQOBPRZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O3/c16-12(17)14-21-20-13(26-14)9-1-2-10(18-5-9)6-23-7-11(19-22-23)15(24)3-4-25-8-15/h1-2,5,7,12,24H,3-4,6,8H2.

What are the key properties of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol?

3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol has a molecular weight of 364.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol is sourced from PubChem (CID 162443015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).