3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride

C19H29ClN4O2 — CID 120959938

IUPAC3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride
SMILESCCC(Oc1ccccc1C(C)C)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-5-16(24-17-9-7-6-8-14(17)13(2)3)19-21-18(22-25-19)15-12-20-10-11-23(15)4;/h6-9,13,15-16,20H,5,10-12H2,1-4H3;1H
InChIKeyHLEVOFZIMSDIMI-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.72
Rot. Bonds6

About 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120959938) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120959938
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride
SMILESCCC(Oc1ccccc1C(C)C)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-5-16(24-17-9-7-6-8-14(17)13(2)3)19-21-18(22-25-19)15-12-20-10-11-23(15)4;/h6-9,13,15-16,20H,5,10-12H2,1-4H3;1H
InChIKeyHLEVOFZIMSDIMI-UHFFFAOYSA-N
XLogP3.72
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958661
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
5-[2-(2-fluorophenyl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956329
3-(1-methylpiperazin-2-yl)-5-[1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-oxadiazole
CID 120960367
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956253
3-(1-methylpiperazin-2-yl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
CID 120956162
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
CID 120957974
5-[(2-ethylphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960641
5-[1-(3-tert-butylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956420
3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride
CID 120960732

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride (CID 120959938) is 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride is CCC(Oc1ccccc1C(C)C)c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is HLEVOFZIMSDIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-5-16(24-17-9-7-6-8-14(17)13(2)3)19-21-18(22-25-19)15-12-20-10-11-23(15)4;/h6-9,13,15-16,20H,5,10-12H2,1-4H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120959938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).