5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C18H25ClN8O2 — CID 120959320

IUPAC5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1cccc(CC(c2nc(C3CNCCN3C)no2)n2nnnc2C)c1.Cl
InChIInChI=1S/C18H24N8O2.ClH/c1-12-21-23-24-26(12)15(10-13-5-4-6-14(9-13)27-3)18-20-17(22-28-18)16-11-19-7-8-25(16)2;/h4-6,9,15-16,19H,7-8,10-11H2,1-3H3;1H
InChIKeyDJIFAIHCKNIZRP-UHFFFAOYSA-N
MW420.91 g/mol
LogP1.20
Rot. Bonds6

About 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120959320) has the molecular formula C18H25ClN8O2 and a molecular weight of 420.91 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120959320
Molecular FormulaC18H25ClN8O2
Molecular Weight420.91 g/mol
Exact Mass420.18
IUPAC Name5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1cccc(CC(c2nc(C3CNCCN3C)no2)n2nnnc2C)c1.Cl
InChIInChI=1S/C18H24N8O2.ClH/c1-12-21-23-24-26(12)15(10-13-5-4-6-14(9-13)27-3)18-20-17(22-28-18)16-11-19-7-8-25(16)2;/h4-6,9,15-16,19H,7-8,10-11H2,1-3H3;1H
InChIKeyDJIFAIHCKNIZRP-UHFFFAOYSA-N
XLogP1.20
TPSA107.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956396
N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 120958643
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
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-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
5-[1-(3-tert-butylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956420
5-[1-(3-fluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961479
5-[2-(3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957592
5-[(3-fluorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959053
1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone
CID 120957096

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120959320) is 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is COc1cccc(CC(c2nc(C3CNCCN3C)no2)n2nnnc2C)c1.Cl.
What is the InChIKey of 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is DJIFAIHCKNIZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2.ClH/c1-12-21-23-24-26(12)15(10-13-5-4-6-14(9-13)27-3)18-20-17(22-28-18)16-11-19-7-8-25(16)2;/h4-6,9,15-16,19H,7-8,10-11H2,1-3H3;1H.
What are the key properties of 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 420.91 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120959320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).