2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one

C19H17NO3 — CID 14119550

IUPAC2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one
SMILESCC1=C(Cc2ccccc2)C(=O)OC(C(=O)c2ccccc2)N1
InChIInChI=1S/C19H17NO3/c1-13-16(12-14-8-4-2-5-9-14)19(22)23-18(20-13)17(21)15-10-6-3-7-11-15/h2-11,18,20H,12H2,1H3
InChIKeyAVPBZICZZKOSCH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.86
Rot. Bonds4

About 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one

2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one (PubChem CID 14119550) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one
PubChem CID14119550
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one
SMILESCC1=C(Cc2ccccc2)C(=O)OC(C(=O)c2ccccc2)N1
InChIInChI=1S/C19H17NO3/c1-13-16(12-14-8-4-2-5-9-14)19(22)23-18(20-13)17(21)15-10-6-3-7-11-15/h2-11,18,20H,12H2,1H3
InChIKeyAVPBZICZZKOSCH-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one
CID 11280265
(5S)-5-benzoylpyrrolidine-2,4-dione
CID 98552249
4-benzoyl-1,3-dioxetan-2-one
CID 139798399
(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 57333457
1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
4-benzyl-2-butyl-3-iodo-2H-furan-5-one
CID 11667562
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
1,3-oxazinan-2-yl(phenyl)methanone
CID 121217862
[(2S,3R)-3-ethyloxiran-2-yl]-phenylmethanone
CID 10866861
(3R,4S)-3-benzoyl-1-benzyl-4-ethylpyrrolidine-2,5-dione
CID 102325570
(4aS,8aS)-3-benzyl-4-methoxy-4a,8a-dihydrochromen-2-one
CID 767354

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one?
The IUPAC name of 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one (CID 14119550) is 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one?
The canonical SMILES for 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one is CC1=C(Cc2ccccc2)C(=O)OC(C(=O)c2ccccc2)N1.
What is the InChIKey of 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one?
The InChIKey is AVPBZICZZKOSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-16(12-14-8-4-2-5-9-14)19(22)23-18(20-13)17(21)15-10-6-3-7-11-15/h2-11,18,20H,12H2,1H3.
What are the key properties of 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one?
2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one has a molecular weight of 307.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 14119550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).