4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one

C15H15N3O3 — CID 8834200

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H15N3O3/c1-9-11(10(2)21-17-9)7-15(20)18-8-14(19)16-12-5-3-4-6-13(12)18/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyGERROALWJKRVIS-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.82
Rot. Bonds2

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8834200) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8834200
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H15N3O3/c1-9-11(10(2)21-17-9)7-15(20)18-8-14(19)16-12-5-3-4-6-13(12)18/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyGERROALWJKRVIS-UHFFFAOYSA-N
XLogP1.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 8834200) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one is Cc1noc(C)c1CC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is GERROALWJKRVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-11(10(2)21-17-9)7-15(20)18-8-14(19)16-12-5-3-4-6-13(12)18/h3-6H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 285.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8834200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).