3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole

C16H14N4OS — CID 2190751

IUPAC3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1nnc2ccc3ccccc3n12
InChIInChI=1S/C16H14N4OS/c1-10-13(11(2)21-19-10)9-22-16-18-17-15-8-7-12-5-3-4-6-14(12)20(15)16/h3-8H,9H2,1-2H3
InChIKeyNFRGIKMRXSNQRY-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.78
Rot. Bonds3

About 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole

3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 2190751) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole
PubChem CID2190751
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1nnc2ccc3ccccc3n12
InChIInChI=1S/C16H14N4OS/c1-10-13(11(2)21-19-10)9-22-16-18-17-15-8-7-12-5-3-4-6-14(12)20(15)16/h3-8H,9H2,1-2H3
InChIKeyNFRGIKMRXSNQRY-UHFFFAOYSA-N
XLogP3.78
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole (CID 2190751) is 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole is Cc1noc(C)c1CSc1nnc2ccc3ccccc3n12.
What is the InChIKey of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is NFRGIKMRXSNQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-13(11(2)21-19-10)9-22-16-18-17-15-8-7-12-5-3-4-6-14(12)20(15)16/h3-8H,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole?
3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 310.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 2190751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).