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

C14H15NO3 — CID 102482827

IUPACethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)OCC(c2ccccc2)=N1
InChIInChI=1S/C14H15NO3/c1-3-17-14(16)13-10(2)18-9-12(15-13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyFFZOOKYKYMAQMP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.30
Rot. Bonds3

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

ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate (PubChem CID 102482827) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate
PubChem CID102482827
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)OCC(c2ccccc2)=N1
InChIInChI=1S/C14H15NO3/c1-3-17-14(16)13-10(2)18-9-12(15-13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyFFZOOKYKYMAQMP-UHFFFAOYSA-N
XLogP2.30
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazolone
CID 1712094
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
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-(4-fluorophenyl)-1,3-oxazolin-5-one
CID 6531488
4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
CID 27435
2-Phenyl-4-ethylidene-2-oxazolin-5-one
CID 5369557
2-(5-Oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)propane-1,3-diyl diacetate
CID 256679
(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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate (CID 102482827) is ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate is CCOC(=O)C1=C(C)OCC(c2ccccc2)=N1.
What is the InChIKey of ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
The InChIKey is FFZOOKYKYMAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-17-14(16)13-10(2)18-9-12(15-13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate?
ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3-phenyl-2H-1,4-oxazine-5-carboxylate is sourced from PubChem (CID 102482827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).