tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate

C18H18N2O3 — CID 135008725

IUPACtert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)=COc2cccnc21
InChIInChI=1S/C18H18N2O3/c1-18(2,3)23-17(21)20-14(13-8-5-4-6-9-13)12-22-15-10-7-11-19-16(15)20/h4-12H,1-3H3
InChIKeyOFQCCJOYHWLEPA-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.21
Rot. Bonds1

About tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate

tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate (PubChem CID 135008725) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate
PubChem CID135008725
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nametert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)=COc2cccnc21
InChIInChI=1S/C18H18N2O3/c1-18(2,3)23-17(21)20-14(13-8-5-4-6-9-13)12-22-15-10-7-11-19-16(15)20/h4-12H,1-3H3
InChIKeyOFQCCJOYHWLEPA-UHFFFAOYSA-N
XLogP4.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-formyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
CID 16733346
tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
CID 16733689
tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate
CID 11858652
tert-butyl 3,5-bis(1,4-benzodioxin-3-yl)-1,4-oxazine-4-carboxylate
CID 16733219
ditert-butyl 3,6-dioxo-1,4-diphenylpyrrolo[3,4-c]pyrrole-2,5-dicarboxylate
CID 139206037
ditert-butyl 2,5-bis(1,4-benzodioxin-3-yl)pyrazine-1,4-dicarboxylate
CID 102520377
tert-butyl 3-phenyl-1,4-benzothiazine-4-carboxylate
CID 135005228
tert-butyl 3-benzyl-2-hydroxy-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
CID 135061189
tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
CID 58547347
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate?
The IUPAC name of tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate (CID 135008725) is tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate?
The canonical SMILES for tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate is CC(C)(C)OC(=O)N1C(c2ccccc2)=COc2cccnc21.
What is the InChIKey of tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate?
The InChIKey is OFQCCJOYHWLEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-18(2,3)23-17(21)20-14(13-8-5-4-6-9-13)12-22-15-10-7-11-19-16(15)20/h4-12H,1-3H3.
What are the key properties of tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate?
tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 135008725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).