5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C16H8ClF3N2O — CID 9036721

IUPAC5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(/C(Cl)=C/c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C16H8ClF3N2O/c17-12(7-9-1-6-13(19)14(20)8-9)16-21-15(22-23-16)10-2-4-11(18)5-3-10/h1-8H/b12-7-
InChIKeyPHEIKSROGWXTTF-GHXNOFRVSA-N
MW336.70 g/mol
LogP4.89
Rot. Bonds3

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

5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 9036721) has the molecular formula C16H8ClF3N2O and a molecular weight of 336.70 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID9036721
Molecular FormulaC16H8ClF3N2O
Molecular Weight336.70 g/mol
Exact Mass336.03
IUPAC Name5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(/C(Cl)=C/c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C16H8ClF3N2O/c17-12(7-9-1-6-13(19)14(20)8-9)16-21-15(22-23-16)10-2-4-11(18)5-3-10/h1-8H/b12-7-
InChIKeyPHEIKSROGWXTTF-GHXNOFRVSA-N
XLogP4.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.70
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Z)-2-chloro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9036620
5-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034304
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
5-[(Z)-1-chloro-2-(3-nitrophenyl)ethenyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 9039262
5-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041813
3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
CID 9039368
5-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034334
5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037022
4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 167742893
3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9041121
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 9036721) is 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(/C(Cl)=C/c3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is PHEIKSROGWXTTF-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H8ClF3N2O/c17-12(7-9-1-6-13(19)14(20)8-9)16-21-15(22-23-16)10-2-4-11(18)5-3-10/h1-8H/b12-7-.
What are the key properties of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 336.70 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9036721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).