3-benzyl-1H-2,3-benzoxazin-4-one

C15H13NO2 — CID 134095286

IUPAC3-benzyl-1H-2,3-benzoxazin-4-one
SMILESO=C1c2ccccc2CON1Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15-14-9-5-4-8-13(14)11-18-16(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyKAGHPIAHMOGBJH-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.77
Rot. Bonds2

About 3-benzyl-1H-2,3-benzoxazin-4-one

3-benzyl-1H-2,3-benzoxazin-4-one (PubChem CID 134095286) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-benzyl-1H-2,3-benzoxazin-4-one.

Molecular Properties

Compound Name3-benzyl-1H-2,3-benzoxazin-4-one
PubChem CID134095286
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-benzyl-1H-2,3-benzoxazin-4-one
SMILESO=C1c2ccccc2CON1Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15-14-9-5-4-8-13(14)11-18-16(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyKAGHPIAHMOGBJH-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methylphenyl)methyl]-1H-2,3-benzoxazin-4-one
CID 56695232
3-[[2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-1H-2,3-benzoxazin-4-one
CID 89003727
(3S)-2,3-dibenzyl-3,4-dihydroisoquinolin-1-one
CID 160964230
2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540
1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529
(3S,4S)-2-benzyl-4-deuterio-3-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one
CID 177439543
2-benzyloxadiazolidin-4-one
CID 18679277
2-[(3-oxo-1H-isoindol-2-yl)methyl]benzoic acid
CID 43625924
2-benzyl-3-methyl-3-prop-1-en-2-yl-4H-isoquinolin-1-one
CID 46895860
2-[(4-aminophenyl)methyl]-3H-isoindol-1-one
CID 171099750
2-(2-phenylethyl)-4H-isoquinoline-1,3-dione
CID 713096
4-benzyl-5H-1,4-benzoxazepin-3-one
CID 22665722

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-2,3-benzoxazin-4-one?
The IUPAC name of 3-benzyl-1H-2,3-benzoxazin-4-one (CID 134095286) is 3-benzyl-1H-2,3-benzoxazin-4-one.
What is the SMILES notation for 3-benzyl-1H-2,3-benzoxazin-4-one?
The canonical SMILES for 3-benzyl-1H-2,3-benzoxazin-4-one is O=C1c2ccccc2CON1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-2,3-benzoxazin-4-one?
The InChIKey is KAGHPIAHMOGBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15-14-9-5-4-8-13(14)11-18-16(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 3-benzyl-1H-2,3-benzoxazin-4-one?
3-benzyl-1H-2,3-benzoxazin-4-one has a molecular weight of 239.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-2,3-benzoxazin-4-one is sourced from PubChem (CID 134095286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).