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

C15H17NO3 — CID 102492293

IUPACethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)C(c2ccccc2)=N1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)14-11(3)19-10(2)13(16-14)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyOOVPNIIKQHAIJV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds3

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

ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate (PubChem CID 102492293) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate
PubChem CID102492293
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)C(c2ccccc2)=N1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)14-11(3)19-10(2)13(16-14)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyOOVPNIIKQHAIJV-UHFFFAOYSA-N
XLogP2.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-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
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 766247
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 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
4-(Butan-2-ylidene)-2-phenyloxazol-5(4H)-one
CID 13148827
2-Phenyl-4-s-butylidene-5-oxazolone
CID 54325415

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate (CID 102492293) is ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate is CCOC(=O)C1=C(C)OC(C)C(c2ccccc2)=N1.
What is the InChIKey of ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
The InChIKey is OOVPNIIKQHAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-18-15(17)14-11(3)19-10(2)13(16-14)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-3-phenyl-2H-1,4-oxazine-5-carboxylate is sourced from PubChem (CID 102492293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).