5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C19H15ClN2O5 — CID 9035696

IUPAC5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(/C(Cl)=C/c3cc(OC)c4c(c3)OCO4)n2)c1
InChIInChI=1S/C19H15ClN2O5/c1-23-13-5-3-4-12(9-13)18-21-19(27-22-18)14(20)6-11-7-15(24-2)17-16(8-11)25-10-26-17/h3-9H,10H2,1-2H3/b14-6-
InChIKeyHGJWEOWAJJOFIV-NSIKDUERSA-N
MW386.79 g/mol
LogP4.22
Rot. Bonds5

About 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9035696) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID9035696
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(/C(Cl)=C/c3cc(OC)c4c(c3)OCO4)n2)c1
InChIInChI=1S/C19H15ClN2O5/c1-23-13-5-3-4-12(9-13)18-21-19(27-22-18)14(20)6-11-7-15(24-2)17-16(8-11)25-10-26-17/h3-9H,10H2,1-2H3/b14-6-
InChIKeyHGJWEOWAJJOFIV-NSIKDUERSA-N
XLogP4.22
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035621
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-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
2-[4-[(Z)-2-chloro-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetate
CID 9035664
2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
CID 135574251
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067203
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
5-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041813
2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 9040673
3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9041121
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-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 9035696) is 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(/C(Cl)=C/c3cc(OC)c4c(c3)OCO4)n2)c1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is HGJWEOWAJJOFIV-NSIKDUERSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-23-13-5-3-4-12(9-13)18-21-19(27-22-18)14(20)6-11-7-15(24-2)17-16(8-11)25-10-26-17/h3-9H,10H2,1-2H3/b14-6-.
What are the key properties of 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 386.79 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9035696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).