3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole

C15H14N2OS — CID 755902

IUPAC3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1ccc2ccccc2n1
InChIInChI=1S/C15H14N2OS/c1-10-13(11(2)18-17-10)9-19-15-8-7-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3
InChIKeyRCSCFMILKZSYQJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.13
Rot. Bonds3

About 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole

3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 755902) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole
PubChem CID755902
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1ccc2ccccc2n1
InChIInChI=1S/C15H14N2OS/c1-10-13(11(2)18-17-10)9-19-15-8-7-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3
InChIKeyRCSCFMILKZSYQJ-UHFFFAOYSA-N
XLogP4.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole
CID 675343
4-[(7-Methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 727693
3,5-Dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
CID 2410091
(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
3-Methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole
CID 9380226
5-Methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole
CID 16344704
5-Methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole
CID 7627769
3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole
CID 9114434

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole (CID 755902) is 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole is Cc1noc(C)c1CSc1ccc2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is RCSCFMILKZSYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-13(11(2)18-17-10)9-19-15-8-7-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 270.36 g/mol, XLogP of 4.13, 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-(quinolin-2-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 755902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).