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

C20H19NO3 — CID 102482824

IUPACethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)17-14(2)24-19(16-12-8-5-9-13-16)18(21-17)15-10-6-4-7-11-15/h4-13,19H,3H2,1-2H3
InChIKeyZSZHQDVBXWUYNH-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.04
Rot. Bonds4

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

ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate (PubChem CID 102482824) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate
PubChem CID102482824
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)17-14(2)24-19(16-12-8-5-9-13-16)18(21-17)15-10-6-4-7-11-15/h4-13,19H,3H2,1-2H3
InChIKeyZSZHQDVBXWUYNH-UHFFFAOYSA-N
XLogP4.04
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.04
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
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
4-Benzal-2-phenyl-5-oxazolone
CID 136663
(Z)-4-Benzylidene-2-phenyloxazol-5(4H)-one
CID 707067
AC1Ntnke
CID 5384656
(4Z)-4-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-2-phenyl-oxazol-5-one
CID 6376727
2-Phenyl-(4-cinnamylidene)oxazolin-5-one
CID 689986
(4Z)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 1549406
4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
CID 27435
(4Z)-4-benzylidene-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one
CID 5880491

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate (CID 102482824) is ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate is CCOC(=O)C1=C(C)OC(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate?
The InChIKey is ZSZHQDVBXWUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-23-20(22)17-14(2)24-19(16-12-8-5-9-13-16)18(21-17)15-10-6-4-7-11-15/h4-13,19H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate?
ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2,3-diphenyl-2H-1,4-oxazine-5-carboxylate is sourced from PubChem (CID 102482824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).