5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C17H11F3N2O2 — CID 19326343

IUPAC5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(/C=C\c3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C17H11F3N2O2/c18-13-6-4-12(5-7-13)16-21-15(24-22-16)10-3-11-1-8-14(9-2-11)23-17(19)20/h1-10,17H/b10-3-
InChIKeyAZZCGOQGVUIUOZ-KMKOMSMNSA-N
MW332.28 g/mol
LogP4.65
Rot. Bonds5

About 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326343) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326343
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(/C=C\c3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C17H11F3N2O2/c18-13-6-4-12(5-7-13)16-21-15(24-22-16)10-3-11-1-8-14(9-2-11)23-17(19)20/h1-10,17H/b10-3-
InChIKeyAZZCGOQGVUIUOZ-KMKOMSMNSA-N
XLogP4.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
CID 19326193
(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 97057783
5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol
CID 75453240
3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one
CID 146591742
5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326439
5-[2-(4-heptylphenyl)ethenyl]-3-[4-(4-pentylphenyl)phenyl]-1,2,4-oxadiazole
CID 3128917
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293
N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
CID 7946032
[4-(4-fluorobenzoyl)phenyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7931064
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 8636716
3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
CID 167991639
1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326343) is 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(/C=C\c3ccc(OC(F)F)cc3)n2)cc1.
What is the InChIKey of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is AZZCGOQGVUIUOZ-KMKOMSMNSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-13-6-4-12(5-7-13)16-21-15(24-22-16)10-3-11-1-8-14(9-2-11)23-17(19)20/h1-10,17H/b10-3-.
What are the key properties of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 332.28 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).