tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C15H21N3O3 — CID 71250499

IUPACtert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C15H21N3O3/c1-14(2,3)21-13(19)18-7-10-6-15(10,8-18)12-17-16-11(20-12)9-4-5-9/h9-10H,4-8H2,1-3H3
InChIKeyWRZUIBUBHIYQBO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 71250499) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID71250499
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C15H21N3O3/c1-14(2,3)21-13(19)18-7-10-6-15(10,8-18)12-17-16-11(20-12)9-4-5-9/h9-10H,4-8H2,1-3H3
InChIKeyWRZUIBUBHIYQBO-UHFFFAOYSA-N
XLogP2.46
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 71250499) is tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2CC2(c2nnc(C3CC3)o2)C1.
What is the InChIKey of tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is WRZUIBUBHIYQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-14(2,3)21-13(19)18-7-10-6-15(10,8-18)12-17-16-11(20-12)9-4-5-9/h9-10H,4-8H2,1-3H3.
What are the key properties of tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 71250499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).