2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile

C15H12N4O2S — CID 75431420

IUPAC2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile
SMILESCc1cc(OCc2nnc(-c3cccs3)o2)c(C#N)c(C)n1
InChIInChI=1S/C15H12N4O2S/c1-9-6-12(11(7-16)10(2)17-9)20-8-14-18-19-15(21-14)13-4-3-5-22-13/h3-6H,8H2,1-2H3
InChIKeyFAEARHLJJOIJDW-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.26
Rot. Bonds4

About 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile

2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile (PubChem CID 75431420) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile
PubChem CID75431420
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile
SMILESCc1cc(OCc2nnc(-c3cccs3)o2)c(C#N)c(C)n1
InChIInChI=1S/C15H12N4O2S/c1-9-6-12(11(7-16)10(2)17-9)20-8-14-18-19-15(21-14)13-4-3-5-22-13/h3-6H,8H2,1-2H3
InChIKeyFAEARHLJJOIJDW-UHFFFAOYSA-N
XLogP3.26
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 17443233
2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
CID 75390973
N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 4827439
4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 80979840
2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 4880151
4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
CID 75505849
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9408019
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-tert-butyl-4-chloro-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one
CID 11257118
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile (CID 75431420) is 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile is Cc1cc(OCc2nnc(-c3cccs3)o2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile?
The InChIKey is FAEARHLJJOIJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-9-6-12(11(7-16)10(2)17-9)20-8-14-18-19-15(21-14)13-4-3-5-22-13/h3-6H,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile has a molecular weight of 312.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 75431420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).