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

C11H9N3OS — CID 103850218

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESCc1nc(Sc2cccc(C#N)n2)oc1C
InChIInChI=1S/C11H9N3OS/c1-7-8(2)15-11(13-7)16-10-5-3-4-9(6-12)14-10/h3-5H,1-2H3
InChIKeySHVHUQMRPXAOQN-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.71
Rot. Bonds2

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile (PubChem CID 103850218) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
PubChem CID103850218
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESCc1nc(Sc2cccc(C#N)n2)oc1C
InChIInChI=1S/C11H9N3OS/c1-7-8(2)15-11(13-7)16-10-5-3-4-9(6-12)14-10/h3-5H,1-2H3
InChIKeySHVHUQMRPXAOQN-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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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile (CID 103850218) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile is Cc1nc(Sc2cccc(C#N)n2)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The InChIKey is SHVHUQMRPXAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-7-8(2)15-11(13-7)16-10-5-3-4-9(6-12)14-10/h3-5H,1-2H3.
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-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 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 103850218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).