4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one

C13H11N3O3 — CID 16864032

IUPAC4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C(=O)N2CC(=O)Nc3ccccc32)no1
InChIInChI=1S/C13H11N3O3/c1-8-6-10(15-19-8)13(18)16-7-12(17)14-9-4-2-3-5-11(9)16/h2-6H,7H2,1H3,(H,14,17)
InChIKeyUXFGSTGSFCYNFW-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.58
Rot. Bonds1

About 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16864032) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16864032
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C(=O)N2CC(=O)Nc3ccccc32)no1
InChIInChI=1S/C13H11N3O3/c1-8-6-10(15-19-8)13(18)16-7-12(17)14-9-4-2-3-5-11(9)16/h2-6H,7H2,1H3,(H,14,17)
InChIKeyUXFGSTGSFCYNFW-UHFFFAOYSA-N
XLogP1.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 16864032) is 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one is Cc1cc(C(=O)N2CC(=O)Nc3ccccc32)no1.
What is the InChIKey of 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is UXFGSTGSFCYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-6-10(15-19-8)13(18)16-7-12(17)14-9-4-2-3-5-11(9)16/h2-6H,7H2,1H3,(H,14,17).
What are the key properties of 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 257.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16864032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).