3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine

C14H25N3O3 — CID 116742385

IUPAC3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCOC1(c2noc(C(N)(CC)CC)n2)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-4-13(15,5-2)12-16-11(17-20-12)14(19-6-3)7-9-18-10-8-14/h4-10,15H2,1-3H3
InChIKeyLBSIQPGLMJNONC-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.09
Rot. Bonds6

About 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine

3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 116742385) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID116742385
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCOC1(c2noc(C(N)(CC)CC)n2)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-4-13(15,5-2)12-16-11(17-20-12)14(19-6-3)7-9-18-10-8-14/h4-10,15H2,1-3H3
InChIKeyLBSIQPGLMJNONC-UHFFFAOYSA-N
XLogP2.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine 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-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 116742385) is 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCOC1(c2noc(C(N)(CC)CC)n2)CCOCC1.
What is the InChIKey of 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is LBSIQPGLMJNONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-13(15,5-2)12-16-11(17-20-12)14(19-6-3)7-9-18-10-8-14/h4-10,15H2,1-3H3.
What are the key properties of 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 283.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 116742385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).