5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C18H23ClN4O3 — CID 120957925

IUPAC5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCOc1cccc2c1OCC(c1nc(C3CNCCN3C)no1)=C2.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-3-23-15-6-4-5-12-9-13(11-24-16(12)15)18-20-17(21-25-18)14-10-19-7-8-22(14)2;/h4-6,9,14,19H,3,7-8,10-11H2,1-2H3;1H
InChIKeyJAYOONQPXYRGEN-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.40
Rot. Bonds4

About 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120957925) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120957925
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCOc1cccc2c1OCC(c1nc(C3CNCCN3C)no1)=C2.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-3-23-15-6-4-5-12-9-13(11-24-16(12)15)18-20-17(21-25-18)14-10-19-7-8-22(14)2;/h4-6,9,14,19H,3,7-8,10-11H2,1-2H3;1H
InChIKeyJAYOONQPXYRGEN-UHFFFAOYSA-N
XLogP2.40
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958144
5-[2-[(2-methylphenyl)methoxy]phenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961282
3-(1-methylpiperazin-2-yl)-5-quinolin-8-yl-1,2,4-oxadiazole
CID 120956638
3-(1-methylpiperazin-2-yl)-5-[2-(2-phenoxyethoxy)phenyl]-1,2,4-oxadiazole
CID 120959055
5-[(2-ethylphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960641
5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956467
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
3-(1-methylpiperazin-2-yl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
CID 120956162
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485

Frequently Asked Questions

What is the IUPAC name of 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120957925) is 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is CCOc1cccc2c1OCC(c1nc(C3CNCCN3C)no1)=C2.Cl.
What is the InChIKey of 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is JAYOONQPXYRGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c1-3-23-15-6-4-5-12-9-13(11-24-16(12)15)18-20-17(21-25-18)14-10-19-7-8-22(14)2;/h4-6,9,14,19H,3,7-8,10-11H2,1-2H3;1H.
What are the key properties of 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-ethoxy-2H-chromen-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120957925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).