ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate

C25H21NO3 — CID 138980452

IUPACethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)O[C@H](c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C25H21NO3/c1-2-28-25(27)22-24(20-16-10-5-11-17-20)29-23(19-14-8-4-9-15-19)21(26-22)18-12-6-3-7-13-18/h3-17,23H,2H2,1H3/t23-/m1/s1
InChIKeyXDZUWUYWEYDHAV-HSZRJFAPSA-N
MW383.45 g/mol
LogP5.18
Rot. Bonds5

About ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate

ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate (PubChem CID 138980452) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate
PubChem CID138980452
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Nameethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)O[C@H](c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C25H21NO3/c1-2-28-25(27)22-24(20-16-10-5-11-17-20)29-23(19-14-8-4-9-15-19)21(26-22)18-12-6-3-7-13-18/h3-17,23H,2H2,1H3/t23-/m1/s1
InChIKeyXDZUWUYWEYDHAV-HSZRJFAPSA-N
XLogP5.18
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.18
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
2-Phenyl-4-(4-phenylbenzylidene)-2-oxazolin-5-one
CID 690059
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 766247
AC1Ntnke
CID 5384656
(4Z)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 1549406
Diphenylmethylene-Glycine benzyl ester
CID 11782449
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
4-(2,6-Diphenylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 1713583
(E)-2-Phenyl-4-(1-(p-tolyl)ethylidene)oxazol-5(4H)-one
CID 832414
(2S,5Z)-5-ethylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 10610251
(E)-2-Phenyl-4-(1-phenylethylidene)oxazol-5(4H)-one
CID 336761

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate?
The IUPAC name of ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate (CID 138980452) is ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate.
What is the SMILES notation for ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate?
The canonical SMILES for ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)O[C@H](c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate?
The InChIKey is XDZUWUYWEYDHAV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H21NO3/c1-2-28-25(27)22-24(20-16-10-5-11-17-20)29-23(19-14-8-4-9-15-19)21(26-22)18-12-6-3-7-13-18/h3-17,23H,2H2,1H3/t23-/m1/s1.
What are the key properties of ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate?
ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2,3,6-triphenyl-2H-1,4-oxazine-5-carboxylate is sourced from PubChem (CID 138980452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).