tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid

C8H13N3O3 — CID 121304119

IUPACtert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid
SMILESCC(C)(C)N(Cc1ncno1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-8(2,3)11(7(12)13)4-6-9-5-10-14-6/h5H,4H2,1-3H3,(H,12,13)
InChIKeyNEFYBIZPHPXFPT-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid

tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid (PubChem CID 121304119) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid
PubChem CID121304119
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nametert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid
SMILESCC(C)(C)N(Cc1ncno1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-8(2,3)11(7(12)13)4-6-9-5-10-14-6/h5H,4H2,1-3H3,(H,12,13)
InChIKeyNEFYBIZPHPXFPT-UHFFFAOYSA-N
XLogP1.35
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid?
The IUPAC name of tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid (CID 121304119) is tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid.
What is the SMILES notation for tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid?
The canonical SMILES for tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid is CC(C)(C)N(Cc1ncno1)C(=O)O.
What is the InChIKey of tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid?
The InChIKey is NEFYBIZPHPXFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-8(2,3)11(7(12)13)4-6-9-5-10-14-6/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid?
tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid has a molecular weight of 199.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(1,2,4-oxadiazol-5-ylmethyl)carbamic acid is sourced from PubChem (CID 121304119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).