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

C10H7N3OS — CID 103525467

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1coc(Sc2ncccc2C#N)n1
InChIInChI=1S/C10H7N3OS/c1-7-6-14-10(13-7)15-9-8(5-11)3-2-4-12-9/h2-4,6H,1H3
InChIKeyXBRFWCOBBAQVFJ-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.40
Rot. Bonds2

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

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 103525467) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID103525467
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1coc(Sc2ncccc2C#N)n1
InChIInChI=1S/C10H7N3OS/c1-7-6-14-10(13-7)15-9-8(5-11)3-2-4-12-9/h2-4,6H,1H3
InChIKeyXBRFWCOBBAQVFJ-UHFFFAOYSA-N
XLogP2.40
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Methyl-4-oxazolyl)ethynyl]pyridine
CID 44407000
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922353
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-[(6-Fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923415
2-[(2-Fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923441
2-[(2-Fluoro-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923517
[2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923740
2-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106924215
2-[(5-Bromo-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 108166536
[2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 113893660

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 103525467) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile is Cc1coc(Sc2ncccc2C#N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is XBRFWCOBBAQVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-7-6-14-10(13-7)15-9-8(5-11)3-2-4-12-9/h2-4,6H,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 103525467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).