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

C15H11N3OS — CID 106922446

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile
SMILESCc1nc(Sc2cc(C#N)c3ccccc3n2)oc1C
InChIInChI=1S/C15H11N3OS/c1-9-10(2)19-15(17-9)20-14-7-11(8-16)12-5-3-4-6-13(12)18-14/h3-7H,1-2H3
InChIKeyGZVLXMMDIVZTDA-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.86
Rot. Bonds2

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile (PubChem CID 106922446) 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-4-carbonitrile.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile
PubChem CID106922446
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile
SMILESCc1nc(Sc2cc(C#N)c3ccccc3n2)oc1C
InChIInChI=1S/C15H11N3OS/c1-9-10(2)19-15(17-9)20-14-7-11(8-16)12-5-3-4-6-13(12)18-14/h3-7H,1-2H3
InChIKeyGZVLXMMDIVZTDA-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-(3-methylphenyl)sulfanylquinoline-4-carbonitrile
CID 63885867
2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile
CID 63886063
2-(3,4-dimethylphenyl)sulfanylquinoline-4-carbonitrile
CID 63883926
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile
CID 63884121
2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile
CID 63885866
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
CID 63886061
2-thiophen-2-ylsulfanylquinoline-4-carbonitrile
CID 63884513
2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
CID 104590924
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
CID 106922431
2-(1,3-benzoxazol-2-ylsulfanyl)-5-methylbenzonitrile
CID 107930936
2-(4-chlorobutan-2-ylsulfanyl)quinoline-4-carbonitrile
CID 66138989
[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 106926972

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile (CID 106922446) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile is Cc1nc(Sc2cc(C#N)c3ccccc3n2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
The InChIKey is GZVLXMMDIVZTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-9-10(2)19-15(17-9)20-14-7-11(8-16)12-5-3-4-6-13(12)18-14/h3-7H,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-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-4-carbonitrile is sourced from PubChem (CID 106922446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).