(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one

C14H15NO2 — CID 11746414

IUPAC(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
SMILESC=C1N=C(c2ccccc2)[C@H](C(C)C)OC1=O
InChIInChI=1S/C14H15NO2/c1-9(2)13-12(11-7-5-4-6-8-11)15-10(3)14(16)17-13/h4-9,13H,3H2,1-2H3/t13-/m0/s1
InChIKeyBKQMENPDYFZLRD-ZDUSSCGKSA-N
MW229.28 g/mol
LogP2.57
Rot. Bonds2

About (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one

(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one (PubChem CID 11746414) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
PubChem CID11746414
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
SMILESC=C1N=C(c2ccccc2)[C@H](C(C)C)OC1=O
InChIInChI=1S/C14H15NO2/c1-9(2)13-12(11-7-5-4-6-8-11)15-10(3)14(16)17-13/h4-9,13H,3H2,1-2H3/t13-/m0/s1
InChIKeyBKQMENPDYFZLRD-ZDUSSCGKSA-N
XLogP2.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Oxazolone
CID 1712094
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
CID 27435
(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
ethyl 3-(4-methylphenyl)-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate
CID 102492289
4-Isobutyliden-2-phenyl-4H-oxazol-5-one
CID 5369550
(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 10610251
2-Benzyl-4-sodium oxidomethylene-5-oxazolone
CID 50909818
3-Phenyl-2,5-dihydro-1,4-oxazin-6-one
CID 15328619
(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 11817110
Methyl 2-[[ethoxy(phenyl)methylidene]amino]prop-2-enoate
CID 21729702
ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate
CID 102482824

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The IUPAC name of (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one (CID 11746414) is (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one.
What is the SMILES notation for (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The canonical SMILES for (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one is C=C1N=C(c2ccccc2)[C@H](C(C)C)OC1=O.
What is the InChIKey of (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The InChIKey is BKQMENPDYFZLRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)13-12(11-7-5-4-6-8-11)15-10(3)14(16)17-13/h4-9,13H,3H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 11746414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).