tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

C16H25N3O3 — CID 164850848

IUPACtert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
SMILESCc1conc1C1(CNC(=O)OC(C)(C)C)C2CCNCC21
InChIInChI=1S/C16H25N3O3/c1-10-8-21-19-13(10)16(11-5-6-17-7-12(11)16)9-18-14(20)22-15(2,3)4/h8,11-12,17H,5-7,9H2,1-4H3,(H,18,20)
InChIKeyCUQWHIDTZHMCCW-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (PubChem CID 164850848) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
PubChem CID164850848
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
SMILESCc1conc1C1(CNC(=O)OC(C)(C)C)C2CCNCC21
InChIInChI=1S/C16H25N3O3/c1-10-8-21-19-13(10)16(11-5-6-17-7-12(11)16)9-18-14(20)22-15(2,3)4/h8,11-12,17H,5-7,9H2,1-4H3,(H,18,20)
InChIKeyCUQWHIDTZHMCCW-UHFFFAOYSA-N
XLogP1.98
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (CID 164850848) is tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is Cc1conc1C1(CNC(=O)OC(C)(C)C)C2CCNCC21.
What is the InChIKey of tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The InChIKey is CUQWHIDTZHMCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10-8-21-19-13(10)16(11-5-6-17-7-12(11)16)9-18-14(20)22-15(2,3)4/h8,11-12,17H,5-7,9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is sourced from PubChem (CID 164850848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).