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

C17H21FN8O — CID 120956396

IUPAC5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nnnn1C(Cc1cccc(F)c1)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C17H21FN8O/c1-11-21-23-24-26(11)14(9-12-4-3-5-13(18)8-12)17-20-16(22-27-17)15-10-19-6-7-25(15)2/h3-5,8,14-15,19H,6-7,9-10H2,1-2H3
InChIKeyNGLMXKVMDMVNST-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.91
Rot. Bonds5

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

5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120956396) has the molecular formula C17H21FN8O and a molecular weight of 372.41 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120956396
Molecular FormulaC17H21FN8O
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Name5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nnnn1C(Cc1cccc(F)c1)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C17H21FN8O/c1-11-21-23-24-26(11)14(9-12-4-3-5-13(18)8-12)17-20-16(22-27-17)15-10-19-6-7-25(15)2/h3-5,8,14-15,19H,6-7,9-10H2,1-2H3
InChIKeyNGLMXKVMDMVNST-UHFFFAOYSA-N
XLogP0.91
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959320
5-[1-(3-fluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961479
5-[(3-fluorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959053
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 120958643
5-[2-(4-fluorophenyl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961645
5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958667
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958447
3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride
CID 120960732
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-[2-(2,3-difluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959984

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120956396) is 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1nnnn1C(Cc1cccc(F)c1)c1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is NGLMXKVMDMVNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN8O/c1-11-21-23-24-26(11)14(9-12-4-3-5-13(18)8-12)17-20-16(22-27-17)15-10-19-6-7-25(15)2/h3-5,8,14-15,19H,6-7,9-10H2,1-2H3.
What are the key properties of 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 372.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120956396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).