(3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one

C23H25NO3 — CID 25178973

IUPAC(3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one
SMILESC=CC[C@]1(Cc2ccccc2)N=C(c2ccccc2)[C@](C)(COC)OC1=O
InChIInChI=1S/C23H25NO3/c1-4-15-23(16-18-11-7-5-8-12-18)21(25)27-22(2,17-26-3)20(24-23)19-13-9-6-10-14-19/h4-14H,1,15-17H2,2-3H3/t22-,23+/m0/s1
InChIKeyQDKFRQKKTZBOSU-XZOQPEGZSA-N
MW363.46 g/mol
LogP4.00
Rot. Bonds7

About (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one

(3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one (PubChem CID 25178973) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name(3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one
PubChem CID25178973
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one
SMILESC=CC[C@]1(Cc2ccccc2)N=C(c2ccccc2)[C@](C)(COC)OC1=O
InChIInChI=1S/C23H25NO3/c1-4-15-23(16-18-11-7-5-8-12-18)21(25)27-22(2,17-26-3)20(24-23)19-13-9-6-10-14-19/h4-14H,1,15-17H2,2-3H3/t22-,23+/m0/s1
InChIKeyQDKFRQKKTZBOSU-XZOQPEGZSA-N
XLogP4.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-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

(3S,6R)-3-benzyl-6-(methoxymethyl)-3-methyl-5-phenyl-6-prop-2-enyl-1,4-oxazin-2-one
CID 102031965
(1R,2S,5S,8S)-5-benzyl-1,11,11-trimethyl-5-prop-2-enyl-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-4-one
CID 11709816
4-benzyl-4-(iodomethyl)-2-phenyl-1,3-oxazol-5-one
CID 11784124
(5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
CID 10560480
5-benzyl-5-(methoxymethyl)tetrazole
CID 91116047
(4S)-4-benzyl-2,4-dimethyl-1,3-oxazol-5-one
CID 10013127
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
(3S,5S)-5-benzyl-3-methyl-3-prop-2-enyloxolane-2,4-dione
CID 14636618
2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one
CID 102577871
2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one
CID 132850827
(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one
CID 57342184
4-benzyl-4-(difluoromethyl)-2-ethenyl-1,3-oxazolidin-5-one
CID 67783835

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
The IUPAC name of (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one (CID 25178973) is (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one.
What is the SMILES notation for (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
The canonical SMILES for (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one is C=CC[C@]1(Cc2ccccc2)N=C(c2ccccc2)[C@](C)(COC)OC1=O.
What is the InChIKey of (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
The InChIKey is QDKFRQKKTZBOSU-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H25NO3/c1-4-15-23(16-18-11-7-5-8-12-18)21(25)27-22(2,17-26-3)20(24-23)19-13-9-6-10-14-19/h4-14H,1,15-17H2,2-3H3/t22-,23+/m0/s1.
What are the key properties of (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
(3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one has a molecular weight of 363.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one is sourced from PubChem (CID 25178973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).