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

C11H9N3OS — CID 103520171

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESCc1coc(SCc2ccnc(C#N)c2)n1
InChIInChI=1S/C11H9N3OS/c1-8-6-15-11(14-8)16-7-9-2-3-13-10(4-9)5-12/h2-4,6H,7H2,1H3
InChIKeyZYYZPZSHCZZJQF-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.54
Rot. Bonds3

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

4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile (PubChem CID 103520171) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
PubChem CID103520171
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESCc1coc(SCc2ccnc(C#N)c2)n1
InChIInChI=1S/C11H9N3OS/c1-8-6-15-11(14-8)16-7-9-2-3-13-10(4-9)5-12/h2-4,6H,7H2,1H3
InChIKeyZYYZPZSHCZZJQF-UHFFFAOYSA-N
XLogP2.54
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.54
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
Methyl-[(4-methyl-1,3-oxazol-2-yl)imino]-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfane
CID 57554372
(4-Ethyl-1,3-oxazol-2-yl)-methylimino-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfane
CID 87142039
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-[(2-Fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923441
2-[(5-Fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole
CID 126781271
2-[(5-Fluoro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 126781762
2-[(5-Fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 126789492
2-[(5-Fluoro-3-pyridinyl)methylsulfanyl]-1,3-oxazole
CID 126789493
2-[(4,5-Dimethyl-1,3-oxazol-2-YL)sulfanyl]-N-[1-(pyridin-3-YL)ethyl]acetamide
CID 75681955
4-Methyl-2-methylsulfanyl-1,3-oxazole;pyridine
CID 66872853

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile (CID 103520171) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile is Cc1coc(SCc2ccnc(C#N)c2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The InChIKey is ZYYZPZSHCZZJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-8-6-15-11(14-8)16-7-9-2-3-13-10(4-9)5-12/h2-4,6H,7H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile has a molecular weight of 231.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 103520171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).