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

C19H20N2O5 — CID 44627888

IUPAC1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(c3cc(OC)cc(OC)c3)O2)cc1
InChIInChI=1S/C19H20N2O5/c1-12(22)21-19(14-9-16(24-3)11-17(10-14)25-4)26-18(20-21)13-5-7-15(23-2)8-6-13/h5-11,19H,1-4H3
InChIKeyYWNKQWTWCLRXOZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.95
Rot. Bonds5

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

1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 44627888) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID44627888
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(c3cc(OC)cc(OC)c3)O2)cc1
InChIInChI=1S/C19H20N2O5/c1-12(22)21-19(14-9-16(24-3)11-17(10-14)25-4)26-18(20-21)13-5-7-15(23-2)8-6-13/h5-11,19H,1-4H3
InChIKeyYWNKQWTWCLRXOZ-UHFFFAOYSA-N
XLogP2.95
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 44627888) is 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(C2=NN(C(C)=O)C(c3cc(OC)cc(OC)c3)O2)cc1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is YWNKQWTWCLRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12(22)21-19(14-9-16(24-3)11-17(10-14)25-4)26-18(20-21)13-5-7-15(23-2)8-6-13/h5-11,19H,1-4H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 356.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 44627888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).