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

C16H19FN4O — CID 120958447

IUPAC5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESC/C(=C/c1nc(C2CNCCN2C)no1)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O/c1-11(12-4-3-5-13(17)9-12)8-15-19-16(20-22-15)14-10-18-6-7-21(14)2/h3-5,8-9,14,18H,6-7,10H2,1-2H3/b11-8-
InChIKeyOJXWIYLEUFCFIH-FLIBITNWSA-N
MW302.35 g/mol
LogP2.35
Rot. Bonds3

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

5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958447) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958447
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESC/C(=C/c1nc(C2CNCCN2C)no1)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O/c1-11(12-4-3-5-13(17)9-12)8-15-19-16(20-22-15)14-10-18-6-7-21(14)2/h3-5,8-9,14,18H,6-7,10H2,1-2H3/b11-8-
InChIKeyOJXWIYLEUFCFIH-FLIBITNWSA-N
XLogP2.35
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957129
5-[(E)-2-(4-methoxyphenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957733
5-[(Z)-2-(2-chlorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959916
3-(1-methylpiperazin-2-yl)-5-[(Z)-2-[2-(trifluoromethyl)phenyl]prop-1-enyl]-1,2,4-oxadiazole;hydrochloride
CID 120957723
5-[(E)-1-(4-fluorophenyl)prop-1-en-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956185
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-[(E)-2-(2-methylphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956691
5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961254
5-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959035
3-(1-methylpiperazin-2-yl)-5-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole
CID 120960387
3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958447) is 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is C/C(=C/c1nc(C2CNCCN2C)no1)c1cccc(F)c1.
What is the InChIKey of 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is OJXWIYLEUFCFIH-FLIBITNWSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11(12-4-3-5-13(17)9-12)8-15-19-16(20-22-15)14-10-18-6-7-21(14)2/h3-5,8-9,14,18H,6-7,10H2,1-2H3/b11-8-.
What are the key properties of 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 302.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).