N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C9H15N3O2 — CID 65331626

IUPACN-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1nc(C2CCCO2)no1
InChIInChI=1S/C9H15N3O2/c1-2-10-6-8-11-9(12-14-8)7-4-3-5-13-7/h7,10H,2-6H2,1H3
InChIKeyDWPLBMYFCUMXQQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.03
Rot. Bonds4

About N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 65331626) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID65331626
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1nc(C2CCCO2)no1
InChIInChI=1S/C9H15N3O2/c1-2-10-6-8-11-9(12-14-8)7-4-3-5-13-7/h7,10H,2-6H2,1H3
InChIKeyDWPLBMYFCUMXQQ-UHFFFAOYSA-N
XLogP1.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine 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-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 65331626) is N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCNCc1nc(C2CCCO2)no1.
What is the InChIKey of N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is DWPLBMYFCUMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-10-6-8-11-9(12-14-8)7-4-3-5-13-7/h7,10H,2-6H2,1H3.
What are the key properties of N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 197.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 65331626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).