tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate

C12H20N4O3 — CID 63303055

IUPACtert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
SMILESCc1noc(CNC2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4O3/c1-8-14-10(19-15-8)5-13-9-6-16(7-9)11(17)18-12(2,3)4/h9,13H,5-7H2,1-4H3
InChIKeyZIEXXUDXFMEXTC-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.09
Rot. Bonds3

About tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate

tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate (PubChem CID 63303055) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
PubChem CID63303055
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nametert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
SMILESCc1noc(CNC2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4O3/c1-8-14-10(19-15-8)5-13-9-6-16(7-9)11(17)18-12(2,3)4/h9,13H,5-7H2,1-4H3
InChIKeyZIEXXUDXFMEXTC-UHFFFAOYSA-N
XLogP1.09
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 103729598
tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103720143
2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107142408
tert-butyl N-[1-[N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730054
tert-butyl 3-[(3,4-dihydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103953629
tert-butyl 3-[(3-bromo-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241926
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl 3-[(3-chloro-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241821
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
tert-butyl 3-[(5-iodofuran-2-yl)methylamino]azetidine-1-carboxylate
CID 107241835
tert-butyl (1R,5R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86699315
tert-butyl 3-(1H-1,2,4-triazol-5-ylmethylamino)azetidine-1-carboxylate
CID 55205937

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate (CID 63303055) is tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate is Cc1noc(CNC2CN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate?
The InChIKey is ZIEXXUDXFMEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8-14-10(19-15-8)5-13-9-6-16(7-9)11(17)18-12(2,3)4/h9,13H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate?
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate is sourced from PubChem (CID 63303055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).