4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile

C11H9N3OS — CID 106922418

IUPAC4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1coc(Sc2nccc(C)c2C#N)n1
InChIInChI=1S/C11H9N3OS/c1-7-3-4-13-10(9(7)5-12)16-11-14-8(2)6-15-11/h3-4,6H,1-2H3
InChIKeyVQUGPVRWLGJNHE-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.71
Rot. Bonds2

About 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile

4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 106922418) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID106922418
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1coc(Sc2nccc(C)c2C#N)n1
InChIInChI=1S/C11H9N3OS/c1-7-3-4-13-10(9(7)5-12)16-11-14-8(2)6-15-11/h3-4,6H,1-2H3
InChIKeyVQUGPVRWLGJNHE-UHFFFAOYSA-N
XLogP2.71
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551522
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 106923724
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
4-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106921522
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
2-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 107279805
2-benzylsulfanyl-4-methylpyridine-3-carbonitrile
CID 5213146
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 106922823
4-methyl-2-phosphanylpyridine-3-carbonitrile
CID 169182998
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174
[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928824
1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
CID 106926920

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 106922418) is 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile is Cc1coc(Sc2nccc(C)c2C#N)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is VQUGPVRWLGJNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-7-3-4-13-10(9(7)5-12)16-11-14-8(2)6-15-11/h3-4,6H,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 231.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 106922418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).