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

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Related Compounds

2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742284
1-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116742359
2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742037
1-cyclopropyl-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116741417
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742227
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116742281
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781319
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116741876
5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 116742262
2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742957
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780755

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).