tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate

C12H16N2O3 — CID 141362575

IUPACtert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC2=CNCOC2=C1
InChIInChI=1S/C12H16N2O3/c1-12(2,3)17-11(15)14-5-4-9-6-13-8-16-10(9)7-14/h4-7,13H,8H2,1-3H3
InChIKeyCHRXAEBCVHTJMD-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.05
Rot. Bonds

About tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate

tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate (PubChem CID 141362575) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate
PubChem CID141362575
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nametert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC2=CNCOC2=C1
InChIInChI=1S/C12H16N2O3/c1-12(2,3)17-11(15)14-5-4-9-6-13-8-16-10(9)7-14/h4-7,13H,8H2,1-3H3
InChIKeyCHRXAEBCVHTJMD-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-formylcyclohexa-1,3-dien-1-yl)-1,4-oxazine-4-carboxylate
CID 57469667
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CID 141121175
tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 69037458
ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate
CID 166441093
tert-butyl 2-[2-chloro-6-(2-methoxy-2-oxoethyl)cyclohexa-1,3-dien-1-yl]-1,4-oxazine-4-carboxylate
CID 68610393
tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
tert-butyl 4-(4-bromophenyl)-2H-pyridine-1-carboxylate
CID 11067667
tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 175484015
ditert-butyl 2H-pyridine-1,4-dicarboxylate
CID 150752539
tert-butyl 5H-pyrazolo[3,4-d]azepine-6-carboxylate
CID 67391440
tert-butyl 3-(oxomethylidene)-2H-pyrrole-1-carboxylate
CID 141100817
tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate
CID 141471372

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate?
The IUPAC name of tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate (CID 141362575) is tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate?
The canonical SMILES for tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate is CC(C)(C)OC(=O)N1C=CC2=CNCOC2=C1.
What is the InChIKey of tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate?
The InChIKey is CHRXAEBCVHTJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,3)17-11(15)14-5-4-9-6-13-8-16-10(9)7-14/h4-7,13H,8H2,1-3H3.
What are the key properties of tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate?
tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dihydropyrido[4,3-e][1,3]oxazine-7-carboxylate is sourced from PubChem (CID 141362575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).