5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole

C17H12Cl2N2O2 — CID 9041072

IUPAC5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C17H12Cl2N2O2/c1-22-14-7-5-11(6-8-14)9-15(19)17-20-16(21-23-17)12-3-2-4-13(18)10-12/h2-10H,1H3/b15-9-
InChIKeyOABIZKWMJQOYHT-DHDCSXOGSA-N
MW347.20 g/mol
LogP5.14
Rot. Bonds4

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

5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 9041072) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
PubChem CID9041072
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C17H12Cl2N2O2/c1-22-14-7-5-11(6-8-14)9-15(19)17-20-16(21-23-17)12-3-2-4-13(18)10-12/h2-10H,1H3/b15-9-
InChIKeyOABIZKWMJQOYHT-DHDCSXOGSA-N
XLogP5.14
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetic acid
CID 9041140
3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9041121
2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
CID 9041139
N-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041065
5-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035610
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
CID 9035664
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035621
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
5-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034304

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole (CID 9041072) is 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole is COc1ccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is OABIZKWMJQOYHT-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-22-14-7-5-11(6-8-14)9-15(19)17-20-16(21-23-17)12-3-2-4-13(18)10-12/h2-10H,1H3/b15-9-.
What are the key properties of 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 347.20 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9041072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).