3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile

C15H8Cl2N4O2S — CID 133331545

IUPAC3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1nc(Sc2nnc(COc3ccc(Cl)cc3)o2)ccc1Cl
InChIInChI=1S/C15H8Cl2N4O2S/c16-9-1-3-10(4-2-9)22-8-13-20-21-15(23-13)24-14-6-5-11(17)12(7-18)19-14/h1-6H,8H2
InChIKeyFWTMMBWEARISIN-UHFFFAOYSA-N
MW379.23 g/mol
LogP4.37
Rot. Bonds5

About 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile

3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile (PubChem CID 133331545) has the molecular formula C15H8Cl2N4O2S and a molecular weight of 379.23 g/mol. Its IUPAC name is 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
PubChem CID133331545
Molecular FormulaC15H8Cl2N4O2S
Molecular Weight379.23 g/mol
Exact Mass377.97
IUPAC Name3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1nc(Sc2nnc(COc3ccc(Cl)cc3)o2)ccc1Cl
InChIInChI=1S/C15H8Cl2N4O2S/c16-9-1-3-10(4-2-9)22-8-13-20-21-15(23-13)24-14-6-5-11(17)12(7-18)19-14/h1-6H,8H2
InChIKeyFWTMMBWEARISIN-UHFFFAOYSA-N
XLogP4.37
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 133434167
5-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pentanenitrile
CID 112785931
2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133427701
3-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 30173721
2-[(4-chlorophenoxy)methyl]-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 134093044
2-(4-chlorophenoxy)sulfanyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
CID 141471112
2-[(4-chlorophenoxy)methyl]-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 38834490
2-[1-(3-chloro-4-fluorophenyl)ethylsulfanyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 60558751
1-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 78763812
4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396564
3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile
CID 133334332
(2R)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7444473

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile (CID 133331545) is 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile is N#Cc1nc(Sc2nnc(COc3ccc(Cl)cc3)o2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The InChIKey is FWTMMBWEARISIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O2S/c16-9-1-3-10(4-2-9)22-8-13-20-21-15(23-13)24-14-6-5-11(17)12(7-18)19-14/h1-6H,8H2.
What are the key properties of 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile has a molecular weight of 379.23 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 133331545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).