4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile

C13H13N3OS — CID 103823026

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Sc2nc(C)c(C)o2)c(C#N)c(C)n1
InChIInChI=1S/C13H13N3OS/c1-7-5-12(11(6-14)9(3)15-7)18-13-16-8(2)10(4)17-13/h5H,1-4H3
InChIKeyVUMCLQCSBWGWCW-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.33
Rot. Bonds2

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 103823026) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID103823026
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Sc2nc(C)c(C)o2)c(C#N)c(C)n1
InChIInChI=1S/C13H13N3OS/c1-7-5-12(11(6-14)9(3)15-7)18-13-16-8(2)10(4)17-13/h5H,1-4H3
InChIKeyVUMCLQCSBWGWCW-UHFFFAOYSA-N
XLogP3.33
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922395
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922434
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922875
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923491
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923518
[2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923778
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-4-carbonitrile
CID 53520389
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
CID 84586916
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 103520171
2,6-Dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 103525443
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 103525454

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile (CID 103823026) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Sc2nc(C)c(C)o2)c(C#N)c(C)n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is VUMCLQCSBWGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-5-12(11(6-14)9(3)15-7)18-13-16-8(2)10(4)17-13/h5H,1-4H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 259.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103823026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).