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

C17H21NO2 — CID 10707268

IUPAC(2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
SMILESCC(C)/C=C1\N=C(c2ccccc2)[C@H](C(C)C)OC1=O
InChIInChI=1S/C17H21NO2/c1-11(2)10-14-17(19)20-16(12(3)4)15(18-14)13-8-6-5-7-9-13/h5-12,16H,1-4H3/b14-10-/t16-/m0/s1
InChIKeyLNVVTHZEJMRLDD-DNXIFWLFSA-N
MW271.36 g/mol
LogP3.60
Rot. Bonds3

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

(2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one (PubChem CID 10707268) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name(2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
PubChem CID10707268
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
SMILESCC(C)/C=C1\N=C(c2ccccc2)[C@H](C(C)C)OC1=O
InChIInChI=1S/C17H21NO2/c1-11(2)10-14-17(19)20-16(12(3)4)15(18-14)13-8-6-5-7-9-13/h5-12,16H,1-4H3/b14-10-/t16-/m0/s1
InChIKeyLNVVTHZEJMRLDD-DNXIFWLFSA-N
XLogP3.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.60
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

(z)-Heptylphenazolone
CID 154585456
(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate
CID 44521900
ethyl 3-(4-methylphenyl)-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate
CID 102492289
4-{[4-(Methylethyl)phenyl]methylene}-2-phenyl-1,3-oxazolin-5-one
CID 711982
(z)-4-(4-Isopropylbenzylidene)-2-phenyloxazol-5(4h)-one
CID 711984
Eupalinilide-C
CID 867108
(4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 5393841
(4Z)-4-(Phenylmethylidene)-2-(4-propylcyclohexyl)-4,5-dihydro-1,3-oxazol-5-one
CID 6061771
(4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 6381052
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

Frequently Asked Questions

What is the IUPAC name of (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The IUPAC name of (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one (CID 10707268) is (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one.
What is the SMILES notation for (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The canonical SMILES for (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one is CC(C)/C=C1\N=C(c2ccccc2)[C@H](C(C)C)OC1=O.
What is the InChIKey of (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The InChIKey is LNVVTHZEJMRLDD-DNXIFWLFSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)10-14-17(19)20-16(12(3)4)15(18-14)13-8-6-5-7-9-13/h5-12,16H,1-4H3/b14-10-/t16-/m0/s1.
What are the key properties of (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
(2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one has a molecular weight of 271.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5Z)-5-(2-methylpropylidene)-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 10707268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).