1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one

C20H17N3O2 — CID 87057244

IUPAC1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2ncc(=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H17N3O2/c1-13-20(14(2)25-22-13)16-8-9-17-18(10-16)23(19(24)11-21-17)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyOKJOSAULZOJZTR-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.72
Rot. Bonds3

About 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one

1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one (PubChem CID 87057244) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
PubChem CID87057244
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2ncc(=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H17N3O2/c1-13-20(14(2)25-22-13)16-8-9-17-18(10-16)23(19(24)11-21-17)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyOKJOSAULZOJZTR-UHFFFAOYSA-N
XLogP3.72
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
CID 121375958
4-(1-benzylpyrazolo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 121375892
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
CID 70664302
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol
CID 121375953
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375785
4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 152547567
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375783
1-benzyl-6-bromoquinoxalin-2-one
CID 90152761
1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234436
4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride
CID 161166075

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one?
The IUPAC name of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one (CID 87057244) is 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one?
The canonical SMILES for 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one is Cc1noc(C)c1-c1ccc2ncc(=O)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one?
The InChIKey is OKJOSAULZOJZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-20(14(2)25-22-13)16-8-9-17-18(10-16)23(19(24)11-21-17)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one?
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one has a molecular weight of 331.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one is sourced from PubChem (CID 87057244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).