(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one

C17H19NO2 — CID 15330444

IUPAC(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one
SMILESC#CC[C@]1(C)N=C(c2ccccc2)[C@@H](C(C)C)OC1=O
InChIInChI=1S/C17H19NO2/c1-5-11-17(4)16(19)20-15(12(2)3)14(18-17)13-9-7-6-8-10-13/h1,6-10,12,15H,11H2,2-4H3/t15-,17+/m1/s1
InChIKeyJKCSHZFNOXVMEM-WBVHZDCISA-N
MW269.34 g/mol
LogP2.84
Rot. Bonds3

About (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one

(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one (PubChem CID 15330444) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one
PubChem CID15330444
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one
SMILESC#CC[C@]1(C)N=C(c2ccccc2)[C@@H](C(C)C)OC1=O
InChIInChI=1S/C17H19NO2/c1-5-11-17(4)16(19)20-15(12(2)3)14(18-17)13-9-7-6-8-10-13/h1,6-10,12,15H,11H2,2-4H3/t15-,17+/m1/s1
InChIKeyJKCSHZFNOXVMEM-WBVHZDCISA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-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
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119
4-Pentynoic acid, 2-[(diphenylmethylene)amino]-, ethyl ester
CID 11833691
(E)-4-fluoro-7-[(2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-5-yl]hept-4-enimidamide
CID 69699304
(Z)-4-fluoro-7-[(2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-5-yl]hept-4-enimidamide
CID 69699308
Ethyl 2-(benzhydrylideneamino)-2-prop-2-ynylpent-4-enoate
CID 11290920
(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 11817110
(2S,3S,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
CID 134870585
(2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
CID 134918655
(2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 10707268
(2S,5Z)-3-phenyl-2-propan-2-yl-5-propylidene-2H-1,4-oxazin-6-one
CID 10777544

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one?
The IUPAC name of (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one (CID 15330444) is (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one.
What is the SMILES notation for (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one?
The canonical SMILES for (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one is C#CC[C@]1(C)N=C(c2ccccc2)[C@@H](C(C)C)OC1=O.
What is the InChIKey of (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one?
The InChIKey is JKCSHZFNOXVMEM-WBVHZDCISA-N. The full InChI is InChI=1S/C17H19NO2/c1-5-11-17(4)16(19)20-15(12(2)3)14(18-17)13-9-7-6-8-10-13/h1,6-10,12,15H,11H2,2-4H3/t15-,17+/m1/s1.
What are the key properties of (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one?
(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one has a molecular weight of 269.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 15330444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).