5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C18H24N8O — CID 120956344

IUPAC5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCC(C)C(c1nc(C2CNCCN2C)no1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H24N8O/c1-12(2)15(26-22-16(21-24-26)13-7-5-4-6-8-13)18-20-17(23-27-18)14-11-19-9-10-25(14)3/h4-8,12,14-15,19H,9-11H2,1-3H3
InChIKeyYCNWLYHHRMLMQV-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.54
Rot. Bonds5

About 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120956344) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120956344
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCC(C)C(c1nc(C2CNCCN2C)no1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H24N8O/c1-12(2)15(26-22-16(21-24-26)13-7-5-4-6-8-13)18-20-17(23-27-18)14-11-19-9-10-25(14)3/h4-8,12,14-15,19H,9-11H2,1-3H3
InChIKeyYCNWLYHHRMLMQV-UHFFFAOYSA-N
XLogP1.54
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956253
1-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one;hydrochloride
CID 120961598
5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958661
3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
CID 120957974
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
5-[1-(3-tert-butylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956420
3-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]butanamide;hydrochloride
CID 120956333
5-[1-(3-fluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961479
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
3-(1-methylpiperazin-2-yl)-5-[1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-oxadiazole
CID 120960367
N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride
CID 120956291
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-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120956344) is 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CC(C)C(c1nc(C2CNCCN2C)no1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is YCNWLYHHRMLMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-12(2)15(26-22-16(21-24-26)13-7-5-4-6-8-13)18-20-17(23-27-18)14-11-19-9-10-25(14)3/h4-8,12,14-15,19H,9-11H2,1-3H3.
What are the key properties of 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 368.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-1-(5-phenyltetrazol-2-yl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120956344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).