tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

C14H21N3O3 — CID 130346995

IUPACtert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
SMILESCc1noc(C23C[C@@H]2CCN(C(=O)OC(C)(C)C)C3)n1
InChIInChI=1S/C14H21N3O3/c1-9-15-11(20-16-9)14-7-10(14)5-6-17(8-14)12(18)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-,14?/m0/s1
InChIKeyZQHZIWGLXAGTPT-XLLULAGJSA-N
MW279.34 g/mol
LogP2.28
Rot. Bonds1

About tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 130346995) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
PubChem CID130346995
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
SMILESCc1noc(C23C[C@@H]2CCN(C(=O)OC(C)(C)C)C3)n1
InChIInChI=1S/C14H21N3O3/c1-9-15-11(20-16-9)14-7-10(14)5-6-17(8-14)12(18)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-,14?/m0/s1
InChIKeyZQHZIWGLXAGTPT-XLLULAGJSA-N
XLogP2.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-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

Related Compounds

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 1-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250569
tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250613
tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 103729598
tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129493540
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl (3R)-3-methyl-3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 99791968
tert-butyl 1-ethynyl-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 135394217
3-O-tert-butyl 1-O-ethyl (1R,6R)-3-azabicyclo[4.1.0]heptane-1,3-dicarboxylate
CID 129389769
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055
1-O-tert-butyl 3-O-methyl (3R,4R)-4-amino-3-hydroxypiperidine-1,3-dicarboxylate
CID 86607892
tert-butyl 4-[cyclopropyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300916

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate (CID 130346995) is tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate is Cc1noc(C23C[C@@H]2CCN(C(=O)OC(C)(C)C)C3)n1.
What is the InChIKey of tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is ZQHZIWGLXAGTPT-XLLULAGJSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-15-11(20-16-9)14-7-10(14)5-6-17(8-14)12(18)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-,14?/m0/s1.
What are the key properties of tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate?
tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 130346995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).