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

C22H19NO2 — CID 10019468

IUPAC2,2-dibenzyl-3H-1,3-benzoxazin-4-one
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)25-22(23-21,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,24)
InChIKeyXVGFYWRAEBJPHN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.99
Rot. Bonds4

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

2,2-dibenzyl-3H-1,3-benzoxazin-4-one (PubChem CID 10019468) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,2-dibenzyl-3H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2,2-dibenzyl-3H-1,3-benzoxazin-4-one
PubChem CID10019468
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2,2-dibenzyl-3H-1,3-benzoxazin-4-one
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)25-22(23-21,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,24)
InChIKeyXVGFYWRAEBJPHN-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carboxymethyl)-4-oxo-3H-1,3-benzoxazine-2-carboxylic acid
CID 134107078
(2R)-2-methyl-2-propyl-3H-1,3-benzoxazin-4-one
CID 684178
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione
CID 95792941
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95799880
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743
2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one
CID 23821936
1'-ethylspiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]-4-one
CID 6925492
1'-[(4-methylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,3'-azetidine]-4-one
CID 134795302
1'-ethylsulfonylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 20954795
1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 17121937
2-(benzylsulfanylmethyl)-4H-1,3,4-benzoxadiazepin-5-one
CID 134101761
4'-tert-butylspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 599923

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-3H-1,3-benzoxazin-4-one?
The IUPAC name of 2,2-dibenzyl-3H-1,3-benzoxazin-4-one (CID 10019468) is 2,2-dibenzyl-3H-1,3-benzoxazin-4-one.
What is the SMILES notation for 2,2-dibenzyl-3H-1,3-benzoxazin-4-one?
The canonical SMILES for 2,2-dibenzyl-3H-1,3-benzoxazin-4-one is O=C1NC(Cc2ccccc2)(Cc2ccccc2)Oc2ccccc21.
What is the InChIKey of 2,2-dibenzyl-3H-1,3-benzoxazin-4-one?
The InChIKey is XVGFYWRAEBJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)25-22(23-21,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,24).
What are the key properties of 2,2-dibenzyl-3H-1,3-benzoxazin-4-one?
2,2-dibenzyl-3H-1,3-benzoxazin-4-one has a molecular weight of 329.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-3H-1,3-benzoxazin-4-one is sourced from PubChem (CID 10019468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).