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

Analyze tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate 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 N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 170430375
tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 156688901
tert-butyl N-[[4-(pyrrolidin-3-ylmethyl)phenyl]methyl]carbamate
CID 138463428
tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate
CID 175100182
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[[(3aR,6aS)-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455617
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]phenyl]carbamate
CID 107243418

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).