2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

C18H18N2O5 — CID 684605

IUPAC2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-21-13-7-5-11(9-15(13)23-3)17-19-20-18(25-17)12-6-8-14(22-2)16(10-12)24-4/h5-10H,1-4H3
InChIKeyDPYSLMRIQFMXKY-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.44
Rot. Bonds6

About 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 684605) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID684605
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-21-13-7-5-11(9-15(13)23-3)17-19-20-18(25-17)12-6-8-14(22-2)16(10-12)24-4/h5-10H,1-4H3
InChIKeyDPYSLMRIQFMXKY-UHFFFAOYSA-N
XLogP3.44
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(1,3-Benzodioxol-5-yl)-5-((3-fluoro-4-methoxybenzyl)sulfanyl)-1,3,4-oxadiazole
CID 2079916
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
2-(4-Methoxyphenyl)-1,3,4-oxadiazole
CID 766687
2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
2-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
Ethyl 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 330196
2-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole
CID 765546
2-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46227022
2-(Benzo[d][1,3]dioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 356902

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole (CID 684605) is 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OC.
What is the InChIKey of 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is DPYSLMRIQFMXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-21-13-7-5-11(9-15(13)23-3)17-19-20-18(25-17)12-6-8-14(22-2)16(10-12)24-4/h5-10H,1-4H3.
What are the key properties of 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole?
2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 342.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 684605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).