1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H14Cl2N2O3 — CID 127029587

IUPAC1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(c3ccc(Cl)c(Cl)c3)O2)cc1
InChIInChI=1S/C17H14Cl2N2O3/c1-10(22)21-17(12-5-8-14(18)15(19)9-12)24-16(20-21)11-3-6-13(23-2)7-4-11/h3-9,17H,1-2H3
InChIKeyGNAXXKZHMNVGSE-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.24
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 127029587) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID127029587
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(c3ccc(Cl)c(Cl)c3)O2)cc1
InChIInChI=1S/C17H14Cl2N2O3/c1-10(22)21-17(12-5-8-14(18)15(19)9-12)24-16(20-21)11-3-6-13(23-2)7-4-11/h3-9,17H,1-2H3
InChIKeyGNAXXKZHMNVGSE-UHFFFAOYSA-N
XLogP4.24
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 127029587) is 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(C2=NN(C(C)=O)C(c3ccc(Cl)c(Cl)c3)O2)cc1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is GNAXXKZHMNVGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-10(22)21-17(12-5-8-14(18)15(19)9-12)24-16(20-21)11-3-6-13(23-2)7-4-11/h3-9,17H,1-2H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 365.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 127029587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).