3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride

C14H18ClN3O3 — CID 75484039

IUPAC3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
SMILESCCOc1ccc(-c2nc(C3COCCN3)no2)cc1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-2-19-11-5-3-10(4-6-11)14-16-13(17-20-14)12-9-18-8-7-15-12;/h3-6,12,15H,2,7-9H2,1H3;1H
InChIKeyKVIATJBYSFESNQ-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.22
Rot. Bonds4

About 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride

3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride (PubChem CID 75484039) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
PubChem CID75484039
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
SMILESCCOc1ccc(-c2nc(C3COCCN3)no2)cc1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-2-19-11-5-3-10(4-6-11)14-16-13(17-20-14)12-9-18-8-7-15-12;/h3-6,12,15H,2,7-9H2,1H3;1H
InChIKeyKVIATJBYSFESNQ-UHFFFAOYSA-N
XLogP2.22
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72925037
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75484051
3-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971459
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477
3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971687
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971569
3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 107099560
3-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971488
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
The IUPAC name of 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride (CID 75484039) is 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride.
What is the SMILES notation for 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
The canonical SMILES for 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride is CCOc1ccc(-c2nc(C3COCCN3)no2)cc1.Cl.
What is the InChIKey of 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
The InChIKey is KVIATJBYSFESNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-2-19-11-5-3-10(4-6-11)14-16-13(17-20-14)12-9-18-8-7-15-12;/h3-6,12,15H,2,7-9H2,1H3;1H.
What are the key properties of 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride is sourced from PubChem (CID 75484039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).