tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate

C11H17N3O3 — CID 56965655

IUPACtert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate
SMILESCc1noc(C2(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C11H17N3O3/c1-7-12-8(17-14-7)11(5-6-11)13-9(15)16-10(2,3)4/h5-6H2,1-4H3,(H,13,15)
InChIKeyGBSXKDTZTGUVFN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate

tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate (PubChem CID 56965655) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate
PubChem CID56965655
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate
SMILESCc1noc(C2(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C11H17N3O3/c1-7-12-8(17-14-7)11(5-6-11)13-9(15)16-10(2,3)4/h5-6H2,1-4H3,(H,13,15)
InChIKeyGBSXKDTZTGUVFN-UHFFFAOYSA-N
XLogP1.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate 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 N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate (CID 56965655) is tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate is Cc1noc(C2(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate?
The InChIKey is GBSXKDTZTGUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-12-8(17-14-7)11(5-6-11)13-9(15)16-10(2,3)4/h5-6H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate?
tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate has a molecular weight of 239.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamate is sourced from PubChem (CID 56965655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).