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

C18H11Cl2N2O4- — CID 9041139

IUPAC2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C18H12Cl2N2O4/c19-13-3-1-2-12(9-13)17-21-18(26-22-17)15(20)8-11-4-6-14(7-5-11)25-10-16(23)24/h1-9H,10H2,(H,23,24)/p-1/b15-8-
InChIKeyKKDBYLKQYSNLMR-NVNXTCNLSA-M
MW390.20 g/mol
LogP3.26
Rot. Bonds6

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

2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate (PubChem CID 9041139) has the molecular formula C18H11Cl2N2O4- and a molecular weight of 390.20 g/mol. Its IUPAC name is 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
PubChem CID9041139
Molecular FormulaC18H11Cl2N2O4-
Molecular Weight390.20 g/mol
Exact Mass389.01
IUPAC Name2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C18H12Cl2N2O4/c19-13-3-1-2-12(9-13)17-21-18(26-22-17)15(20)8-11-4-6-14(7-5-11)25-10-16(23)24/h1-9H,10H2,(H,23,24)/p-1/b15-8-
InChIKeyKKDBYLKQYSNLMR-NVNXTCNLSA-M
XLogP3.26
TPSA88.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate with MolForge

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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
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-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
N-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041065
3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9041121
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
3-(3-chlorophenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083697
2-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloroethenyl]phenoxy]acetate
CID 9039035
2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid
CID 45281715
5-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035610
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate (CID 9041139) is 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate is O=C([O-])COc1ccc(/C=C(\Cl)c2nc(-c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
The InChIKey is KKDBYLKQYSNLMR-NVNXTCNLSA-M. The full InChI is InChI=1S/C18H12Cl2N2O4/c19-13-3-1-2-12(9-13)17-21-18(26-22-17)15(20)8-11-4-6-14(7-5-11)25-10-16(23)24/h1-9H,10H2,(H,23,24)/p-1/b15-8-.
What are the key properties of 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate has a molecular weight of 390.20 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate is sourced from PubChem (CID 9041139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).