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

C14H14F2N6O2 — CID 169024269

IUPAC3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1
InChIInChI=1S/C14H14F2N6O2/c15-12(16)14-20-19-13(24-14)9-3-4-10(17-6-9)7-22-8-11(18-21-22)2-1-5-23/h3-4,6,8,12,23H,1-2,5,7H2
InChIKeyLESXYRUJBYTVMR-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.63
Rot. Bonds7

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

3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol (PubChem CID 169024269) has the molecular formula C14H14F2N6O2 and a molecular weight of 336.30 g/mol. Its IUPAC name is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol
PubChem CID169024269
Molecular FormulaC14H14F2N6O2
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC Name3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1
InChIInChI=1S/C14H14F2N6O2/c15-12(16)14-20-19-13(24-14)9-3-4-10(17-6-9)7-22-8-11(18-21-22)2-1-5-23/h3-4,6,8,12,23H,1-2,5,7H2
InChIKeyLESXYRUJBYTVMR-UHFFFAOYSA-N
XLogP1.63
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-5-[6-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443587
2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443333
2-(difluoromethyl)-5-[6-[[4-(1-propan-2-ylazetidin-3-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443111
2-(difluoromethyl)-5-[6-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443501
3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]oxolan-3-ol
CID 162443015
2-(difluoromethyl)-5-[6-[[4-(1-propan-2-ylpiperidin-4-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443664
2-(difluoromethyl)-5-[6-[[4-(1H-indol-6-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162442993
5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722833
2-(difluoromethyl)-5-[6-[[4-(1-ethyl-4-fluoropiperidin-4-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443586
2-[6-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443032
5-[1-[dideuterio-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722864
[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 162443407

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]propan-1-ol?
The IUPAC name of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol (CID 169024269) is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol is OCCCc1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1.
What is the InChIKey of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol?
The InChIKey is LESXYRUJBYTVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6O2/c15-12(16)14-20-19-13(24-14)9-3-4-10(17-6-9)7-22-8-11(18-21-22)2-1-5-23/h3-4,6,8,12,23H,1-2,5,7H2.
What are the key properties of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol?
3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol has a molecular weight of 336.30 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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]propan-1-ol is sourced from PubChem (CID 169024269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).