methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane

C9H18N4O3 — CID 142287204

IUPACmethyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane
SMILESCCC.COC(=O)NCCc1nnc(N)o1
InChIInChI=1S/C6H10N4O3.C3H8/c1-12-6(11)8-3-2-4-9-10-5(7)13-4;1-3-2/h2-3H2,1H3,(H2,7,10)(H,8,11);3H2,1-2H3
InChIKeyIQUZPXULJBTEMJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.97
Rot. Bonds3

About methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane

methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane (PubChem CID 142287204) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane.

Molecular Properties

Compound Namemethyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane
PubChem CID142287204
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Namemethyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane
SMILESCCC.COC(=O)NCCc1nnc(N)o1
InChIInChI=1S/C6H10N4O3.C3H8/c1-12-6(11)8-3-2-4-9-10-5(7)13-4;1-3-2/h2-3H2,1H3,(H2,7,10)(H,8,11);3H2,1-2H3
InChIKeyIQUZPXULJBTEMJ-UHFFFAOYSA-N
XLogP0.97
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane 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 methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane?
The IUPAC name of methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane (CID 142287204) is methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane.
What is the SMILES notation for methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane?
The canonical SMILES for methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane is CCC.COC(=O)NCCc1nnc(N)o1.
What is the InChIKey of methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane?
The InChIKey is IQUZPXULJBTEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3.C3H8/c1-12-6(11)8-3-2-4-9-10-5(7)13-4;1-3-2/h2-3H2,1H3,(H2,7,10)(H,8,11);3H2,1-2H3.
What are the key properties of methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane?
methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane has a molecular weight of 230.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate;propane is sourced from PubChem (CID 142287204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).