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

C17H21ClN8O — CID 120961264

IUPAC3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nnnn1/C(=C\c1ccccc1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H20N8O.ClH/c1-12-20-22-23-25(12)14(10-13-6-4-3-5-7-13)17-19-16(21-26-17)15-11-18-8-9-24(15)2;/h3-7,10,15,18H,8-9,11H2,1-2H3;1H/b14-10-;
InChIKeyNEFRJEQJPHOOBM-DZOOLQPHSA-N
MW388.86 g/mol
LogP1.41
Rot. Bonds4

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

3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120961264) has the molecular formula C17H21ClN8O and a molecular weight of 388.86 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120961264
Molecular FormulaC17H21ClN8O
Molecular Weight388.86 g/mol
Exact Mass388.15
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nnnn1/C(=C\c1ccccc1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H20N8O.ClH/c1-12-20-22-23-25(12)14(10-13-6-4-3-5-7-13)17-19-16(21-26-17)15-11-18-8-9-24(15)2;/h3-7,10,15,18H,8-9,11H2,1-2H3;1H/b14-10-;
InChIKeyNEFRJEQJPHOOBM-DZOOLQPHSA-N
XLogP1.41
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859477
5-[(E)-1-(4-fluorophenyl)prop-1-en-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956185
5-[(Z)-2-(2-chlorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959916
5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958824
5-[(E)-2-(2-methylphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956691
3-(1-methylpiperazin-2-yl)-5-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960090
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(2-methyl-1-phenylpropan-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961522
3-(1-methylpiperazin-2-yl)-5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazole;hydrochloride
CID 120956823
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride (CID 120961264) is 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride is Cc1nnnn1/C(=C\c1ccccc1)c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is NEFRJEQJPHOOBM-DZOOLQPHSA-N. The full InChI is InChI=1S/C17H20N8O.ClH/c1-12-20-22-23-25(12)14(10-13-6-4-3-5-7-13)17-19-16(21-26-17)15-11-18-8-9-24(15)2;/h3-7,10,15,18H,8-9,11H2,1-2H3;1H/b14-10-;.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 388.86 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[(Z)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120961264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).