2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile

C17H12F2N4O2 — CID 169290122

IUPAC2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile
SMILESN#CCc1ccccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C17H12F2N4O2/c18-15(19)17-23-22-16(25-17)12-5-6-13(21-9-12)10-24-14-4-2-1-3-11(14)7-8-20/h1-6,9,15H,7,10H2
InChIKeyAYBSCHNHJCJQCO-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.71
Rot. Bonds6

About 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile

2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile (PubChem CID 169290122) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile
PubChem CID169290122
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile
SMILESN#CCc1ccccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C17H12F2N4O2/c18-15(19)17-23-22-16(25-17)12-5-6-13(21-9-12)10-24-14-4-2-1-3-11(14)7-8-20/h1-6,9,15H,7,10H2
InChIKeyAYBSCHNHJCJQCO-UHFFFAOYSA-N
XLogP3.71
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile 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

6-Methyl-nicotinic acid [1-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-meth-(Z)-ylidene]-hydrazide
CID 6862833
2-(Difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235773
2-(Difluoromethyl)-5-[6-(pyridin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235825
2-(Difluoromethyl)-5-[6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235900
2-(Difluoromethyl)-5-[5-fluoro-6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235925
2-[6-[(5-Cyclopropyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290114
2-(Difluoromethyl)-5-[6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290116
2-(Difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290117
2-(Difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290127
2-(Difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290135
2-[6-[(6-Cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290137
2-(Difluoromethyl)-5-[6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290143

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile (CID 169290122) is 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile is N#CCc1ccccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile?
The InChIKey is AYBSCHNHJCJQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c18-15(19)17-23-22-16(25-17)12-5-6-13(21-9-12)10-24-14-4-2-1-3-11(14)7-8-20/h1-6,9,15H,7,10H2.
What are the key properties of 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile?
2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile has a molecular weight of 342.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile is sourced from PubChem (CID 169290122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).