tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C14H20N2O3 — CID 166520473

IUPACtert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1cc(C2C3CN(C(=O)OC(C)(C)C)CC32)no1
InChIInChI=1S/C14H20N2O3/c1-8-5-11(15-19-8)12-9-6-16(7-10(9)12)13(17)18-14(2,3)4/h5,9-10,12H,6-7H2,1-4H3
InChIKeyJRZYHSKUSWMDNP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.56
Rot. Bonds1

About tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 166520473) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID166520473
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1cc(C2C3CN(C(=O)OC(C)(C)C)CC32)no1
InChIInChI=1S/C14H20N2O3/c1-8-5-11(15-19-8)12-9-6-16(7-10(9)12)13(17)18-14(2,3)4/h5,9-10,12H,6-7H2,1-4H3
InChIKeyJRZYHSKUSWMDNP-UHFFFAOYSA-N
XLogP2.56
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 166520473) is tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1cc(C2C3CN(C(=O)OC(C)(C)C)CC32)no1.
What is the InChIKey of tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is JRZYHSKUSWMDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-5-11(15-19-8)12-9-6-16(7-10(9)12)13(17)18-14(2,3)4/h5,9-10,12H,6-7H2,1-4H3.
What are the key properties of tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 166520473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).