2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide

C10H19N5O2 — CID 114218012

IUPAC2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1noc(CN)n1
InChIInChI=1S/C10H19N5O2/c1-3-4-15(7-9(16)12-2)6-8-13-10(5-11)17-14-8/h3-7,11H2,1-2H3,(H,12,16)
InChIKeyFNJXSHVRZBQRJW-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.51
Rot. Bonds7

About 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide (PubChem CID 114218012) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide
PubChem CID114218012
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1noc(CN)n1
InChIInChI=1S/C10H19N5O2/c1-3-4-15(7-9(16)12-2)6-8-13-10(5-11)17-14-8/h3-7,11H2,1-2H3,(H,12,16)
InChIKeyFNJXSHVRZBQRJW-UHFFFAOYSA-N
XLogP-0.51
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide 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 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide (CID 114218012) is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1noc(CN)n1.
What is the InChIKey of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide?
The InChIKey is FNJXSHVRZBQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-3-4-15(7-9(16)12-2)6-8-13-10(5-11)17-14-8/h3-7,11H2,1-2H3,(H,12,16).
What are the key properties of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide?
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide has a molecular weight of 241.29 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 114218012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).