4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile

C17H13FN4O2S — CID 133396564

IUPAC4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Sc2nnc(COc3ccc(F)cc3)o2)c(C#N)c(C)n1
InChIInChI=1S/C17H13FN4O2S/c1-10-7-15(14(8-19)11(2)20-10)25-17-22-21-16(24-17)9-23-13-5-3-12(18)4-6-13/h3-7H,9H2,1-2H3
InChIKeyFUALIHWXCGEXIA-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.82
Rot. Bonds5

About 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile

4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396564) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396564
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC Name4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Sc2nnc(COc3ccc(F)cc3)o2)c(C#N)c(C)n1
InChIInChI=1S/C17H13FN4O2S/c1-10-7-15(14(8-19)11(2)20-10)25-17-22-21-16(24-17)9-23-13-5-3-12(18)4-6-13/h3-7H,9H2,1-2H3
InChIKeyFUALIHWXCGEXIA-UHFFFAOYSA-N
XLogP3.82
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile 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-[(4-ethylphenoxy)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 862325
3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133331545
2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660996
2-[(4-methylphenoxy)methyl]-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55602706
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052450
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 38843324
2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile
CID 75431420
4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052296
2-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 74616428
2,6-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 81052298
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
CID 9109074
5-(ethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 3152479

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile (CID 133396564) is 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Sc2nnc(COc3ccc(F)cc3)o2)c(C#N)c(C)n1.
What is the InChIKey of 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is FUALIHWXCGEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c1-10-7-15(14(8-19)11(2)20-10)25-17-22-21-16(24-17)9-23-13-5-3-12(18)4-6-13/h3-7H,9H2,1-2H3.
What are the key properties of 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 356.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).