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

C14H9N3OS — CID 106922402

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile
SMILESCc1coc(Sc2nc3ccccc3cc2C#N)n1
InChIInChI=1S/C14H9N3OS/c1-9-8-18-14(16-9)19-13-11(7-15)6-10-4-2-3-5-12(10)17-13/h2-6,8H,1H3
InChIKeyKXJVLKLNQOLNTM-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.55
Rot. Bonds2

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

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile (PubChem CID 106922402) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile
PubChem CID106922402
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile
SMILESCc1coc(Sc2nc3ccccc3cc2C#N)n1
InChIInChI=1S/C14H9N3OS/c1-9-8-18-14(16-9)19-13-11(7-15)6-10-4-2-3-5-12(10)17-13/h2-6,8H,1H3
InChIKeyKXJVLKLNQOLNTM-UHFFFAOYSA-N
XLogP3.55
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922395
4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole
CID 86806261
4-(2-Quinolin-2-ylethenyl)-1,3-oxazole
CID 91941763
2,6-Dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 103525443
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 103525454
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
2-Methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921501
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
CID 106921570
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921574
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921591
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine
CID 106921653

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile (CID 106922402) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile is Cc1coc(Sc2nc3ccccc3cc2C#N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
The InChIKey is KXJVLKLNQOLNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-9-8-18-14(16-9)19-13-11(7-15)6-10-4-2-3-5-12(10)17-13/h2-6,8H,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile is sourced from PubChem (CID 106922402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).