2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

C18H14F2N6O2 — CID 162722629

IUPAC2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ncccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)nn1
InChIInChI=1S/C18H14F2N6O2/c1-27-17-13(3-2-8-21-17)14-10-26(25-22-14)9-11-4-6-12(7-5-11)16-23-24-18(28-16)15(19)20/h2-8,10,15H,9H2,1H3
InChIKeyNIQAUOLFFREVSX-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.38
Rot. Bonds6

About 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722629) has the molecular formula C18H14F2N6O2 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722629
Molecular FormulaC18H14F2N6O2
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ncccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)nn1
InChIInChI=1S/C18H14F2N6O2/c1-27-17-13(3-2-8-21-17)14-10-26(25-22-14)9-11-4-6-12(7-5-11)16-23-24-18(28-16)15(19)20/h2-8,10,15H,9H2,1H3
InChIKeyNIQAUOLFFREVSX-UHFFFAOYSA-N
XLogP3.38
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722629) is 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is COc1ncccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)nn1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is NIQAUOLFFREVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O2/c1-27-17-13(3-2-8-21-17)14-10-26(25-22-14)9-11-4-6-12(7-5-11)16-23-24-18(28-16)15(19)20/h2-8,10,15H,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 384.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).