3-(4-nitrophenyl)oxazin-6-one

C10H6N2O4 — CID 759154

IUPAC3-(4-nitrophenyl)oxazin-6-one
SMILESO=c1ccc(-c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C10H6N2O4/c13-10-6-5-9(11-16-10)7-1-3-8(4-2-7)12(14)15/h1-6H
InChIKeySXNIWMKWUKSORG-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.61
Rot. Bonds2

About 3-(4-nitrophenyl)oxazin-6-one

3-(4-nitrophenyl)oxazin-6-one (PubChem CID 759154) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-(4-nitrophenyl)oxazin-6-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)oxazin-6-one
PubChem CID759154
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name3-(4-nitrophenyl)oxazin-6-one
SMILESO=c1ccc(-c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C10H6N2O4/c13-10-6-5-9(11-16-10)7-1-3-8(4-2-7)12(14)15/h1-6H
InChIKeySXNIWMKWUKSORG-UHFFFAOYSA-N
XLogP1.61
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(4-nitrophenyl)-1,2-oxazole
CID 15258968
1-[3-(4-aminophenyl)-1,2-oxazol-5-yl]-2-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]ethane-1,2-diol
CID 68757332
5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 139215074
3-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10921934
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
CID 165349290
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
4-(4-nitrophenyl)oxadiazole
CID 18950797
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524
2-bromo-4-(4-nitrophenyl)-1,3-oxazole
CID 102974582
ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 949375
ethane;6-(4-nitrophenyl)pyridin-3-ol
CID 144843001
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)oxazin-6-one?
The IUPAC name of 3-(4-nitrophenyl)oxazin-6-one (CID 759154) is 3-(4-nitrophenyl)oxazin-6-one.
What is the SMILES notation for 3-(4-nitrophenyl)oxazin-6-one?
The canonical SMILES for 3-(4-nitrophenyl)oxazin-6-one is O=c1ccc(-c2ccc([N+](=O)[O-])cc2)no1.
What is the InChIKey of 3-(4-nitrophenyl)oxazin-6-one?
The InChIKey is SXNIWMKWUKSORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-10-6-5-9(11-16-10)7-1-3-8(4-2-7)12(14)15/h1-6H.
What are the key properties of 3-(4-nitrophenyl)oxazin-6-one?
3-(4-nitrophenyl)oxazin-6-one has a molecular weight of 218.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)oxazin-6-one is sourced from PubChem (CID 759154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).