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

C15H17NO2 — CID 10610251

IUPAC(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
SMILESC/C=C1\N=C(c2ccccc2)[C@H](C(C)C)OC1=O
InChIInChI=1S/C15H17NO2/c1-4-12-15(17)18-14(10(2)3)13(16-12)11-8-6-5-7-9-11/h4-10,14H,1-3H3/b12-4-/t14-/m0/s1
InChIKeyMSMCBXHUQASFJA-VQEQIULKSA-N
MW243.31 g/mol
LogP2.96
Rot. Bonds2

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

(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one (PubChem CID 10610251) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
PubChem CID10610251
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
SMILESC/C=C1\N=C(c2ccccc2)[C@H](C(C)C)OC1=O
InChIInChI=1S/C15H17NO2/c1-4-12-15(17)18-14(10(2)3)13(16-12)11-8-6-5-7-9-11/h4-10,14H,1-3H3/b12-4-/t14-/m0/s1
InChIKeyMSMCBXHUQASFJA-VQEQIULKSA-N
XLogP2.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.96
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
2-Phenyl-4-ethylidene-2-oxazolin-5-one
CID 5369557
(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
(4Z)-4-(Phenylmethylidene)-2-(4-propylcyclohexyl)-4,5-dihydro-1,3-oxazol-5-one
CID 6061771
4-Isobutyliden-2-phenyl-4H-oxazol-5-one
CID 5369550
(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 11746414
Nonylphenazolone
CID 154585476

Frequently Asked Questions

What is the IUPAC name of (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The IUPAC name of (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one (CID 10610251) is (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one.
What is the SMILES notation for (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The canonical SMILES for (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one is C/C=C1\N=C(c2ccccc2)[C@H](C(C)C)OC1=O.
What is the InChIKey of (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
The InChIKey is MSMCBXHUQASFJA-VQEQIULKSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-12-15(17)18-14(10(2)3)13(16-12)11-8-6-5-7-9-11/h4-10,14H,1-3H3/b12-4-/t14-/m0/s1.
What are the key properties of (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one?
(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one has a molecular weight of 243.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 10610251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).