tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C16H26N2O4 — CID 175560352

IUPACtert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC1C(C2C3CN(C(=O)OC(C)(C)C)C[C@H]32)=NOC1(C)C
InChIInChI=1S/C16H26N2O4/c1-15(2,3)21-14(19)18-7-9-10(8-18)11(9)12-13(20-6)16(4,5)22-17-12/h9-11,13H,7-8H2,1-6H3/t9-,10?,11?,13?/m1/s1
InChIKeyPFRVJCXLFUHMOY-VHSBIODMSA-N
MW310.39 g/mol
LogP2.28
Rot. Bonds2

About tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 175560352) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID175560352
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC1C(C2C3CN(C(=O)OC(C)(C)C)C[C@H]32)=NOC1(C)C
InChIInChI=1S/C16H26N2O4/c1-15(2,3)21-14(19)18-7-9-10(8-18)11(9)12-13(20-6)16(4,5)22-17-12/h9-11,13H,7-8H2,1-6H3/t9-,10?,11?,13?/m1/s1
InChIKeyPFRVJCXLFUHMOY-VHSBIODMSA-N
XLogP2.28
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-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

Related Compounds

tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-2-oxido-4H-1,2-oxazol-2-ium-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175560390
tert-butyl 6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166520552
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166520473
tert-butyl (5R)-6-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175560348
tert-butyl (1R,5S)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 126708091
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
tert-butyl (1R,5R)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 125129236
tert-butyl 6-(5-formyl-4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166520576

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 175560352) is tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is COC1C(C2C3CN(C(=O)OC(C)(C)C)C[C@H]32)=NOC1(C)C.
What is the InChIKey of tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is PFRVJCXLFUHMOY-VHSBIODMSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-15(2,3)21-14(19)18-7-9-10(8-18)11(9)12-13(20-6)16(4,5)22-17-12/h9-11,13H,7-8H2,1-6H3/t9-,10?,11?,13?/m1/s1.
What are the key properties of tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-6-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 175560352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).