3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one

C18H16N4O2S — CID 53065217

About 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one

3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one (PubChem CID 53065217) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one.

Molecular Properties

• Compound Name: 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one
• PubChem CID: 53065217
• Molecular Formula: C18H16N4O2S
• Molecular Weight: 352.42 g/mol
• Exact Mass: 352.10
• IUPAC Name: 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one
• SMILES: Cc1nc2cc(-c3noc(-c4cccs4)n3)ccc2n(C(C)C)c1=O
• InChI: InChI=1S/C18H16N4O2S/c1-10(2)22-14-7-6-12(9-13(14)19-11(3)18(22)23)16-20-17(24-21-16)15-5-4-8-25-15/h4-10H,1-3H3
• InChIKey: KVLCPOWZEBQNKA-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 73.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.42
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one?

The IUPAC name of 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one (CID 53065217) is 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one.

What is the SMILES notation for 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one?

The canonical SMILES for 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one is Cc1nc2cc(-c3noc(-c4cccs4)n3)ccc2n(C(C)C)c1=O.

What is the InChIKey of 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one?

The InChIKey is KVLCPOWZEBQNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10(2)22-14-7-6-12(9-13(14)19-11(3)18(22)23)16-20-17(24-21-16)15-5-4-8-25-15/h4-10H,1-3H3.

What are the key properties of 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one?

3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one has a molecular weight of 352.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one is sourced from PubChem (CID 53065217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).