tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate

C14H19N3O3 — CID 162341910

IUPACtert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNc3cccnc3O2)C1
InChIInChI=1S/C14H19N3O3/c1-13(2,3)20-12(18)17-8-14(9-17)7-16-10-5-4-6-15-11(10)19-14/h4-6,16H,7-9H2,1-3H3
InChIKeyKFXZEOOWDDBOFY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.88
Rot. Bonds

About tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate

tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate (PubChem CID 162341910) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate
PubChem CID162341910
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nametert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNc3cccnc3O2)C1
InChIInChI=1S/C14H19N3O3/c1-13(2,3)20-12(18)17-8-14(9-17)7-16-10-5-4-6-15-11(10)19-14/h4-6,16H,7-9H2,1-3H3
InChIKeyKFXZEOOWDDBOFY-UHFFFAOYSA-N
XLogP1.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 1,1-dioxospiro[2,3-dihydropyrido[2,3-b][1,4,5]oxathiazepine-4,3'-azetidine]-1'-carboxylate
CID 146399881
tert-butyl 4-iodospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxylate
CID 169434669
tert-butyl 3-oxospiro[furo[2,3-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 142434085
tert-butyl 3-hydroxy-3-[2-(3-methyl-2-pyridinyl)ethynyl]azetidine-1-carboxylate
CID 90352807
tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate
CID 135396869
tert-butyl 3-fluoro-3-[2-(3-methyl-2-pyridinyl)ethynyl]azetidine-1-carboxylate
CID 90352803
tert-butyl spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylate
CID 178078018
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 12-(pyridine-2-carbonyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane-8-carboxylate
CID 118570220
1-O-tert-butyl 3-O-(2-nitro-3-pyridinyl) 3-methylazetidine-1,3-dicarboxylate
CID 175234203
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate?
The IUPAC name of tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate (CID 162341910) is tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate?
The canonical SMILES for tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CC2(CNc3cccnc3O2)C1.
What is the InChIKey of tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate?
The InChIKey is KFXZEOOWDDBOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-13(2,3)20-12(18)17-8-14(9-17)7-16-10-5-4-6-15-11(10)19-14/h4-6,16H,7-9H2,1-3H3.
What are the key properties of tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate?
tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate is sourced from PubChem (CID 162341910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).