3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole

C16H16N2OS — CID 675343

IUPAC3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1cc(C)c2ccccc2n1
InChIInChI=1S/C16H16N2OS/c1-10-8-16(17-15-7-5-4-6-13(10)15)20-9-14-11(2)18-19-12(14)3/h4-8H,9H2,1-3H3
InChIKeyBLXVKEMHSWUZEB-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.44
Rot. Bonds3

About 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole

3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 675343) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID675343
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1cc(C)c2ccccc2n1
InChIInChI=1S/C16H16N2OS/c1-10-8-16(17-15-7-5-4-6-13(10)15)20-9-14-11(2)18-19-12(14)3/h4-8H,9H2,1-3H3
InChIKeyBLXVKEMHSWUZEB-UHFFFAOYSA-N
XLogP4.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-5-methyl-3-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazol-2-yl)isoxazole
CID 11531536
3,5-Dimethyl-4-((quinolin-2-ylthio)methyl)isoxazole
CID 755902
2-(4-Methylquinolin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2081336
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
4-[(7-Methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 727693
2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2059694
(5-Methyl-1,2-oxazol-3-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 16280060
3-Methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline
CID 134971529
2-{[(3,5-Dimethyl-4-isoxazolyl)methyl]sulfanyl}-4,6-dimethyl-3-pyridyl cyanide
CID 1648816
3-Quinolin-2-yl-5-thiophen-3-yl-1,2-oxazole
CID 178271412
3,5-dimethyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,2-oxazole-4-sulfonamide
CID 3840054
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 71901945

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole (CID 675343) is 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole is Cc1noc(C)c1CSc1cc(C)c2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is BLXVKEMHSWUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-8-16(17-15-7-5-4-6-13(10)15)20-9-14-11(2)18-19-12(14)3/h4-8H,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole?
3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 284.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 675343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).