N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine

C15H22N4O — CID 107366992

IUPACN'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
SMILESCCc1noc(CN(CCCN)Cc2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-2-14-17-15(20-18-14)12-19(10-6-9-16)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,16H2,1H3
InChIKeyQORAIHWIMGJPEK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.98
Rot. Bonds8

About N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine

N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 107366992) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID107366992
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
SMILESCCc1noc(CN(CCCN)Cc2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-2-14-17-15(20-18-14)12-19(10-6-9-16)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,16H2,1H3
InChIKeyQORAIHWIMGJPEK-UHFFFAOYSA-N
XLogP1.98
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine 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 N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine (CID 107366992) is N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine is CCc1noc(CN(CCCN)Cc2ccccc2)n1.
What is the InChIKey of N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is QORAIHWIMGJPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-14-17-15(20-18-14)12-19(10-6-9-16)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,16H2,1H3.
What are the key properties of N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107366992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).