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

C17H21NO3 — CID 25178797

IUPAC(3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one
SMILESC=CC[C@@]1(C)N=C(c2ccccc2)[C@](C)(COC)OC1=O
InChIInChI=1S/C17H21NO3/c1-5-11-16(2)15(19)21-17(3,12-20-4)14(18-16)13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3/t16-,17+/m1/s1
InChIKeyZTHJUGCWOUQHDJ-SJORKVTESA-N
MW287.36 g/mol
LogP2.77
Rot. Bonds5

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

(3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one (PubChem CID 25178797) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name(3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one
PubChem CID25178797
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one
SMILESC=CC[C@@]1(C)N=C(c2ccccc2)[C@](C)(COC)OC1=O
InChIInChI=1S/C17H21NO3/c1-5-11-16(2)15(19)21-17(3,12-20-4)14(18-16)13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3/t16-,17+/m1/s1
InChIKeyZTHJUGCWOUQHDJ-SJORKVTESA-N
XLogP2.77
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
CID 11821723
(3R,6R)-3-benzyl-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-1,4-oxazin-2-one
CID 25178795
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119
Ethyl 2-((diphenylmethylene)amino)-2-ethylbutanoate
CID 10805871
5-(3-fluorophenyl)-3,3-dimethyl-2H-1,4-oxazin-6-one
CID 121003074
Ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate
CID 11197139
3-Phenyl-2,5-dihydro-1,4-oxazin-6-one
CID 15328619
tert-butyl (2R)-2-methyl-3-phenylazirine-2-carboxylate
CID 10799523
(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 11817110
(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one
CID 15330444
2,3-Dimethyl-5-phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 121015528

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
The IUPAC name of (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one (CID 25178797) is (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one.
What is the SMILES notation for (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
The canonical SMILES for (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one is C=CC[C@@]1(C)N=C(c2ccccc2)[C@](C)(COC)OC1=O.
What is the InChIKey of (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
The InChIKey is ZTHJUGCWOUQHDJ-SJORKVTESA-N. The full InChI is InChI=1S/C17H21NO3/c1-5-11-16(2)15(19)21-17(3,12-20-4)14(18-16)13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3/t16-,17+/m1/s1.
What are the key properties of (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one?
(3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3-prop-2-enyl-1,4-oxazin-2-one is sourced from PubChem (CID 25178797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).