3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole

C16H14N4OS — CID 18099710

About 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole

3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 18099710) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
• PubChem CID: 18099710
• Molecular Formula: C16H14N4OS
• Molecular Weight: 310.38 g/mol
• Exact Mass: 310.09
• IUPAC Name: 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
• SMILES: Cc1cc(CSc2nnc3cc(C)c4ccccc4n23)on1
• InChI: InChI=1S/C16H14N4OS/c1-10-7-15-17-18-16(22-9-12-8-11(2)19-21-12)20(15)14-6-4-3-5-13(10)14/h3-8H,9H2,1-2H3
• InChIKey: KGAPETZGNYRLKG-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 56.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.38
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole?

The IUPAC name of 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole (CID 18099710) is 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole.

What is the SMILES notation for 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole?

The canonical SMILES for 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole is Cc1cc(CSc2nnc3cc(C)c4ccccc4n23)on1.

What is the InChIKey of 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole?

The InChIKey is KGAPETZGNYRLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-7-15-17-18-16(22-9-12-8-11(2)19-21-12)20(15)14-6-4-3-5-13(10)14/h3-8H,9H2,1-2H3.

What are the key properties of 3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole?

3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-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-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 18099710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).