3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol

C16H10Cl2N2O2 — CID 9041121

IUPAC3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
SMILESOc1cccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C16H10Cl2N2O2/c17-12-5-2-4-11(9-12)15-19-16(22-20-15)14(18)8-10-3-1-6-13(21)7-10/h1-9,21H/b14-8-
InChIKeyAUVJBFKWQHOFCT-ZSOIEALJSA-N
MW333.17 g/mol
LogP4.83
Rot. Bonds3

About 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol

3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol (PubChem CID 9041121) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
PubChem CID9041121
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
SMILESOc1cccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C16H10Cl2N2O2/c17-12-5-2-4-11(9-12)15-19-16(22-20-15)14(18)8-10-3-1-6-13(21)7-10/h1-9,21H/b14-8-
InChIKeyAUVJBFKWQHOFCT-ZSOIEALJSA-N
XLogP4.83
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
3-[(Z)-2-chloro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9036620
N-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041065
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-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol
CID 9037543
2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
CID 9041139
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035621
5-[(Z)-1-chloro-2-(3-nitrophenyl)ethenyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 9039262
2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
CID 135574251
4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-2,6-dimethylphenol
CID 135574248
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
The IUPAC name of 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol (CID 9041121) is 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol.
What is the SMILES notation for 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
The canonical SMILES for 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol is Oc1cccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)c1.
What is the InChIKey of 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
The InChIKey is AUVJBFKWQHOFCT-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-12-5-2-4-11(9-12)15-19-16(22-20-15)14(18)8-10-3-1-6-13(21)7-10/h1-9,21H/b14-8-.
What are the key properties of 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol has a molecular weight of 333.17 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol is sourced from PubChem (CID 9041121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).