3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile

C10H7N3OS — CID 106922511

IUPAC3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSc1ncco1
InChIInChI=1S/C10H7N3OS/c11-6-9-8(2-1-3-12-9)7-15-10-13-4-5-14-10/h1-5H,7H2
InChIKeyVIBBCTMTQPYAJB-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.23
Rot. Bonds3

About 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile

3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile (PubChem CID 106922511) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
PubChem CID106922511
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSc1ncco1
InChIInChI=1S/C10H7N3OS/c11-6-9-8(2-1-3-12-9)7-15-10-13-4-5-14-10/h1-5H,7H2
InChIKeyVIBBCTMTQPYAJB-UHFFFAOYSA-N
XLogP2.23
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile (CID 106922511) is 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile is N#Cc1ncccc1CSc1ncco1.
What is the InChIKey of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
The InChIKey is VIBBCTMTQPYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c11-6-9-8(2-1-3-12-9)7-15-10-13-4-5-14-10/h1-5H,7H2.
What are the key properties of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 106922511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).