3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride

C9H17ClN4O2 — CID 71831220

IUPAC3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride
SMILESCC(C)c1noc(CNC(=O)CCN)n1.Cl
InChIInChI=1S/C9H16N4O2.ClH/c1-6(2)9-12-8(15-13-9)5-11-7(14)3-4-10;/h6H,3-5,10H2,1-2H3,(H,11,14);1H
InChIKeyMHWDFNDEOVELLA-UHFFFAOYSA-N
MW248.71 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride

3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride (PubChem CID 71831220) has the molecular formula C9H17ClN4O2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride
PubChem CID71831220
Molecular FormulaC9H17ClN4O2
Molecular Weight248.71 g/mol
Exact Mass248.10
IUPAC Name3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride
SMILESCC(C)c1noc(CNC(=O)CCN)n1.Cl
InChIInChI=1S/C9H16N4O2.ClH/c1-6(2)9-12-8(15-13-9)5-11-7(14)3-4-10;/h6H,3-5,10H2,1-2H3,(H,11,14);1H
InChIKeyMHWDFNDEOVELLA-UHFFFAOYSA-N
XLogP0.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride 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 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride (CID 71831220) is 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride is CC(C)c1noc(CNC(=O)CCN)n1.Cl.
What is the InChIKey of 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride?
The InChIKey is MHWDFNDEOVELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2.ClH/c1-6(2)9-12-8(15-13-9)5-11-7(14)3-4-10;/h6H,3-5,10H2,1-2H3,(H,11,14);1H.
What are the key properties of 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride?
3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 71831220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).