ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate

C20H16F3NO3 — CID 44521900

IUPACethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C20H16F3NO3/c1-2-26-19(25)16-18(20(21,22)23)27-17(14-11-7-4-8-12-14)15(24-16)13-9-5-3-6-10-13/h3-12,17H,2H2,1H3
InChIKeyLRIRCTGBEIFDMU-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.58
Rot. Bonds4

About ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate

ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate (PubChem CID 44521900) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate
PubChem CID44521900
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Nameethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C20H16F3NO3/c1-2-26-19(25)16-18(20(21,22)23)27-17(14-11-7-4-8-12-14)15(24-16)13-9-5-3-6-10-13/h3-12,17H,2H2,1H3
InChIKeyLRIRCTGBEIFDMU-UHFFFAOYSA-N
XLogP4.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
(4E)-2-(3-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 92276264
(4E)-2-(2-methylphenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 92294806
(4Z)-2-(3-Methylphenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
CID 5399584
ethyl 3-(4-methylphenyl)-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate
CID 102492289
Ethyl 6-oxo-2-phenyl-5-(trifluoromethyl)-6h-1,3-oxazine-4-carboxylate
CID 129802733
Benzyl (2e)-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5(4h)-ylidene]ethanoate
CID 129839354
ethyl (2Z)-2-[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-ylidene]acetate
CID 138970647
4-(2,6-Diphenylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 1713583
(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 10610251

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate?
The IUPAC name of ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate (CID 44521900) is ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate.
What is the SMILES notation for ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate?
The canonical SMILES for ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate is CCOC(=O)C1=C(C(F)(F)F)OC(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate?
The InChIKey is LRIRCTGBEIFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c1-2-26-19(25)16-18(20(21,22)23)27-17(14-11-7-4-8-12-14)15(24-16)13-9-5-3-6-10-13/h3-12,17H,2H2,1H3.
What are the key properties of ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate?
ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate has a molecular weight of 375.35 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diphenyl-6-(trifluoromethyl)-2H-1,4-oxazine-5-carboxylate is sourced from PubChem (CID 44521900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).