tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate

C12H19N3O3 — CID 155352533

IUPACtert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cc2nnco2)C1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)14-9-4-8(5-9)6-10-15-13-7-17-10/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyZZUYJQXOUOFGPE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.92
Rot. Bonds3

About tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate

tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate (PubChem CID 155352533) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate
PubChem CID155352533
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cc2nnco2)C1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)14-9-4-8(5-9)6-10-15-13-7-17-10/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyZZUYJQXOUOFGPE-UHFFFAOYSA-N
XLogP1.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
CID 167738140
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate
CID 167553603
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate
CID 167214494
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate
CID 166834794
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate (CID 155352533) is tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Cc2nnco2)C1.
What is the InChIKey of tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate?
The InChIKey is ZZUYJQXOUOFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)14-9-4-8(5-9)6-10-15-13-7-17-10/h7-9H,4-6H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate?
tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate is sourced from PubChem (CID 155352533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).