tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate

C23H23NO3 — CID 16733689

IUPACtert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
SMILESC=CC1=C(c2ccccc2)N(C(=O)OC(C)(C)C)C(c2ccccc2)=CO1
InChIInChI=1S/C23H23NO3/c1-5-20-21(18-14-10-7-11-15-18)24(22(25)27-23(2,3)4)19(16-26-20)17-12-8-6-9-13-17/h5-16H,1H2,2-4H3
InChIKeyUBQWJSMZUYJASA-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.81
Rot. Bonds3

About tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate

tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate (PubChem CID 16733689) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
PubChem CID16733689
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Nametert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
SMILESC=CC1=C(c2ccccc2)N(C(=O)OC(C)(C)C)C(c2ccccc2)=CO1
InChIInChI=1S/C23H23NO3/c1-5-20-21(18-14-10-7-11-15-18)24(22(25)27-23(2,3)4)19(16-26-20)17-12-8-6-9-13-17/h5-16H,1H2,2-4H3
InChIKeyUBQWJSMZUYJASA-UHFFFAOYSA-N
XLogP5.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-formyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
CID 16733346
tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 135008725
tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate
CID 11858652
ditert-butyl 3,6-dioxo-1,4-diphenylpyrrolo[3,4-c]pyrrole-2,5-dicarboxylate
CID 139206037
tert-butyl 3-phenyl-1,4-benzothiazine-4-carboxylate
CID 135005228
tert-butyl 3,5-bis(1,4-benzodioxin-3-yl)-1,4-oxazine-4-carboxylate
CID 16733219
tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate
CID 86054918
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
tert-butyl (2S)-2,4,5-triphenyl-2,3-dihydropyrrole-1-carboxylate
CID 102080261
tert-butyl 9-nitroso-9H-acridine-10-carboxylate
CID 102127033
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
CID 25133272
tert-butyl 6,7-diphenyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11198879

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate?
The IUPAC name of tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate (CID 16733689) is tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate?
The canonical SMILES for tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate is C=CC1=C(c2ccccc2)N(C(=O)OC(C)(C)C)C(c2ccccc2)=CO1.
What is the InChIKey of tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate?
The InChIKey is UBQWJSMZUYJASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-5-20-21(18-14-10-7-11-15-18)24(22(25)27-23(2,3)4)19(16-26-20)17-12-8-6-9-13-17/h5-16H,1H2,2-4H3.
What are the key properties of tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate?
tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate is sourced from PubChem (CID 16733689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).