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

C17H19FN8O — CID 120958048

IUPAC5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nnnn1/C(=C\c1ccc(F)cc1)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C17H19FN8O/c1-11-21-23-24-26(11)14(9-12-3-5-13(18)6-4-12)17-20-16(22-27-17)15-10-19-7-8-25(15)2/h3-6,9,15,19H,7-8,10H2,1-2H3/b14-9-
InChIKeyRTRWXJAKTCTZRD-ZROIWOOFSA-N
MW370.39 g/mol
LogP1.13
Rot. Bonds4

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

5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958048) has the molecular formula C17H19FN8O and a molecular weight of 370.39 g/mol. Its IUPAC name is 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958048
Molecular FormulaC17H19FN8O
Molecular Weight370.39 g/mol
Exact Mass370.17
IUPAC Name5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nnnn1/C(=C\c1ccc(F)cc1)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C17H19FN8O/c1-11-21-23-24-26(11)14(9-12-3-5-13(18)6-4-12)17-20-16(22-27-17)15-10-19-7-8-25(15)2/h3-6,9,15,19H,7-8,10H2,1-2H3/b14-9-
InChIKeyRTRWXJAKTCTZRD-ZROIWOOFSA-N
XLogP1.13
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958048) is 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1nnnn1/C(=C\c1ccc(F)cc1)c1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is RTRWXJAKTCTZRD-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H19FN8O/c1-11-21-23-24-26(11)14(9-12-3-5-13(18)6-4-12)17-20-16(22-27-17)15-10-19-7-8-25(15)2/h3-6,9,15,19H,7-8,10H2,1-2H3/b14-9-.
What are the key properties of 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 370.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).