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

C19H14ClN2O5- — CID 9035664

IUPAC2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
SMILESCOc1cccc(-c2noc(/C(Cl)=C/c3ccc(OCC(=O)[O-])cc3)n2)c1
InChIInChI=1S/C19H15ClN2O5/c1-25-15-4-2-3-13(10-15)18-21-19(27-22-18)16(20)9-12-5-7-14(8-6-12)26-11-17(23)24/h2-10H,11H2,1H3,(H,23,24)/p-1/b16-9-
InChIKeyUYODAFBXKRPBAX-SXGWCWSVSA-M
MW385.78 g/mol
LogP2.61
Rot. Bonds7

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

2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate (PubChem CID 9035664) has the molecular formula C19H14ClN2O5- and a molecular weight of 385.78 g/mol. Its IUPAC name is 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
PubChem CID9035664
Molecular FormulaC19H14ClN2O5-
Molecular Weight385.78 g/mol
Exact Mass385.06
IUPAC Name2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
SMILESCOc1cccc(-c2noc(/C(Cl)=C/c3ccc(OCC(=O)[O-])cc3)n2)c1
InChIInChI=1S/C19H15ClN2O5/c1-25-15-4-2-3-13(10-15)18-21-19(27-22-18)16(20)9-12-5-7-14(8-6-12)26-11-17(23)24/h2-10H,11H2,1H3,(H,23,24)/p-1/b16-9-
InChIKeyUYODAFBXKRPBAX-SXGWCWSVSA-M
XLogP2.61
TPSA97.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-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]acetate
CID 9041139
2-[4-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetic acid
CID 9041140
5-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035610
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035621
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
5-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034299
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041435
5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035696
5-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041813
2-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloroethenyl]phenoxy]acetate
CID 9039035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate (CID 9035664) is 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate is COc1cccc(-c2noc(/C(Cl)=C/c3ccc(OCC(=O)[O-])cc3)n2)c1.
What is the InChIKey of 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
The InChIKey is UYODAFBXKRPBAX-SXGWCWSVSA-M. The full InChI is InChI=1S/C19H15ClN2O5/c1-25-15-4-2-3-13(10-15)18-21-19(27-22-18)16(20)9-12-5-7-14(8-6-12)26-11-17(23)24/h2-10H,11H2,1H3,(H,23,24)/p-1/b16-9-.
What are the key properties of 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate?
2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate has a molecular weight of 385.78 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate is sourced from PubChem (CID 9035664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).