6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one

C11H8N4O2 — CID 117328322

IUPAC6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
SMILESNc1oncc1-c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C11H8N4O2/c12-11-7(4-14-17-11)6-1-2-8-9(3-6)13-5-10(16)15-8/h1-5H,12H2,(H,15,16)
InChIKeyIDWFQRYSZUSLBP-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.16
Rot. Bonds1

About 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one

6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one (PubChem CID 117328322) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
PubChem CID117328322
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
SMILESNc1oncc1-c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C11H8N4O2/c12-11-7(4-14-17-11)6-1-2-8-9(3-6)13-5-10(16)15-8/h1-5H,12H2,(H,15,16)
InChIKeyIDWFQRYSZUSLBP-UHFFFAOYSA-N
XLogP1.16
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one?
The IUPAC name of 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one (CID 117328322) is 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one is Nc1oncc1-c1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one?
The InChIKey is IDWFQRYSZUSLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-11-7(4-14-17-11)6-1-2-8-9(3-6)13-5-10(16)15-8/h1-5H,12H2,(H,15,16).
What are the key properties of 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one?
6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one has a molecular weight of 228.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 117328322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).