ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate

C16H19NO3 — CID 135004699

IUPACethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)(C)C(c2ccccc2)=N1
InChIInChI=1S/C16H19NO3/c1-5-19-15(18)13-11(2)20-16(3,4)14(17-13)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3
InChIKeyNCRYVVKLOSRRFG-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.08
Rot. Bonds3

About ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate

ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate (PubChem CID 135004699) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate
PubChem CID135004699
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)(C)C(c2ccccc2)=N1
InChIInChI=1S/C16H19NO3/c1-5-19-15(18)13-11(2)20-16(3,4)14(17-13)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3
InChIKeyNCRYVVKLOSRRFG-UHFFFAOYSA-N
XLogP3.08
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxazolone
CID 1712094
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 766247
AC1Ntnke
CID 5384656
4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
CID 27435
2-(5-Oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)propane-1,3-diyl diacetate
CID 256679
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
(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 10610251
(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 11746414
(E)-2-Phenyl-4-(1-phenylethylidene)oxazol-5(4H)-one
CID 336761

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate?
The IUPAC name of ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate (CID 135004699) is ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate.
What is the SMILES notation for ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate?
The canonical SMILES for ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate is CCOC(=O)C1=C(C)OC(C)(C)C(c2ccccc2)=N1.
What is the InChIKey of ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate?
The InChIKey is NCRYVVKLOSRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-19-15(18)13-11(2)20-16(3,4)14(17-13)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate?
ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6,6-trimethyl-5-phenyl-1,4-oxazine-3-carboxylate is sourced from PubChem (CID 135004699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).