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

C19H14N4O2S — CID 18201699

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

5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 18201699) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
• PubChem CID: 18201699
• Molecular Formula: C19H14N4O2S
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.08
• IUPAC Name: 5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
• SMILES: Cc1cc2nnc(SCc3cc(-c4ccco4)on3)n2c2ccccc12
• InChI: InChI=1S/C19H14N4O2S/c1-12-9-18-20-21-19(23(18)15-6-3-2-5-14(12)15)26-11-13-10-17(25-22-13)16-7-4-8-24-16/h2-10H,11H2,1H3
• InChIKey: CQGPZWBKXFKTDY-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 69.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole (CID 18201699) is 5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole.

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

The canonical SMILES for 5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole is Cc1cc2nnc(SCc3cc(-c4ccco4)on3)n2c2ccccc12.

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

The InChIKey is CQGPZWBKXFKTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-12-9-18-20-21-19(23(18)15-6-3-2-5-14(12)15)26-11-13-10-17(25-22-13)16-7-4-8-24-16/h2-10H,11H2,1H3.

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

5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 362.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 18201699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).