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

C20H16ClN3O4 — CID 9031386

IUPAC4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
SMILESCOc1cc(-c2nnc(/C(Cl)=C/c3ccc(C#N)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C20H16ClN3O4/c1-25-16-9-14(10-17(26-2)18(16)27-3)19-23-24-20(28-19)15(21)8-12-4-6-13(11-22)7-5-12/h4-10H,1-3H3/b15-8-
InChIKeyXWZKPZRHQXTYEG-NVNXTCNLSA-N
MW397.82 g/mol
LogP4.37
Rot. Bonds6

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

4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile (PubChem CID 9031386) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
PubChem CID9031386
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC Name4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
SMILESCOc1cc(-c2nnc(/C(Cl)=C/c3ccc(C#N)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C20H16ClN3O4/c1-25-16-9-14(10-17(26-2)18(16)27-3)19-23-24-20(28-19)15(21)8-12-4-6-13(11-22)7-5-12/h4-10H,1-3H3/b15-8-
InChIKeyXWZKPZRHQXTYEG-NVNXTCNLSA-N
XLogP4.37
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile with MolForge

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Related Compounds

2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031366
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031343
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
2-[4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9447355
2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031723
trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
CID 16767601
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447353
2-[(Z)-1-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447328
4-(2,3,4,6-tetramethoxyphenyl)benzonitrile
CID 11771002
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032100

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile (CID 9031386) is 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile is COc1cc(-c2nnc(/C(Cl)=C/c3ccc(C#N)cc3)o2)cc(OC)c1OC.
What is the InChIKey of 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile?
The InChIKey is XWZKPZRHQXTYEG-NVNXTCNLSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c1-25-16-9-14(10-17(26-2)18(16)27-3)19-23-24-20(28-19)15(21)8-12-4-6-13(11-22)7-5-12/h4-10H,1-3H3/b15-8-.
What are the key properties of 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile?
4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile has a molecular weight of 397.82 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile is sourced from PubChem (CID 9031386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).