5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one

C16H16N2O2 — CID 82346261

IUPAC5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(c2ccccc2)Oc2cccc(N)c21
InChIInChI=1S/C16H16N2O2/c1-2-18-14-12(17)9-6-10-13(14)20-15(16(18)19)11-7-4-3-5-8-11/h3-10,15H,2,17H2,1H3
InChIKeyPUFVQZBCKWUDJQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds2

About 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one

5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one (PubChem CID 82346261) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
PubChem CID82346261
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(c2ccccc2)Oc2cccc(N)c21
InChIInChI=1S/C16H16N2O2/c1-2-18-14-12(17)9-6-10-13(14)20-15(16(18)19)11-7-4-3-5-8-11/h3-10,15H,2,17H2,1H3
InChIKeyPUFVQZBCKWUDJQ-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82022163
6-amino-2-phenyl-4-propyl-1,4-benzoxazin-3-one
CID 82022162
4-(4-aminobutyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022144
6-amino-4-(2-methylpropyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022157
3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione
CID 45156473
5-amino-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82346193
5-amino-4-[2-(dimethylamino)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346249
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 82345925
5-[(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid
CID 82345995
5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82345993
5-amino-4-(2-methylprop-2-enyl)-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346244
propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82346175

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
The IUPAC name of 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one (CID 82346261) is 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
The canonical SMILES for 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one is CCN1C(=O)C(c2ccccc2)Oc2cccc(N)c21.
What is the InChIKey of 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
The InChIKey is PUFVQZBCKWUDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-18-14-12(17)9-6-10-13(14)20-15(16(18)19)11-7-4-3-5-8-11/h3-10,15H,2,17H2,1H3.
What are the key properties of 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82346261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).