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

C15H11N3OS — CID 106922439

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile
SMILESCc1nc(Sc2nc3ccccc3cc2C#N)oc1C
InChIInChI=1S/C15H11N3OS/c1-9-10(2)19-15(17-9)20-14-12(8-16)7-11-5-3-4-6-13(11)18-14/h3-7H,1-2H3
InChIKeyVHIDCWLDVAHVOA-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.86
Rot. Bonds2

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile (PubChem CID 106922439) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile
PubChem CID106922439
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile
SMILESCc1nc(Sc2nc3ccccc3cc2C#N)oc1C
InChIInChI=1S/C15H11N3OS/c1-9-10(2)19-15(17-9)20-14-12(8-16)7-11-5-3-4-6-13(11)18-14/h3-7H,1-2H3
InChIKeyVHIDCWLDVAHVOA-UHFFFAOYSA-N
XLogP3.86
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922434
4,5-Dimethyl-2-(4-methylphthalazin-1-yl)sulfanyl-1,3-oxazole
CID 24656800
N-(acridin-9-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 28405112
2-Methyl-5-[4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 38745502
4,5-Dimethyl-2-(3-methylquinoxalin-2-yl)sulfanyl-1,3-oxazole
CID 39999971
2-Methyl-5-[4-(2-quinolin-2-ylsulfanylacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 40051499
2,6-Dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 103525443
2-[(2-Chloroquinolin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 103607415
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823026
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 103850218
2-Methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921501
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921574

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile (CID 106922439) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile is Cc1nc(Sc2nc3ccccc3cc2C#N)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
The InChIKey is VHIDCWLDVAHVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-9-10(2)19-15(17-9)20-14-12(8-16)7-11-5-3-4-6-13(11)18-14/h3-7H,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile is sourced from PubChem (CID 106922439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).