3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C18H18N2O5 — CID 666344

IUPAC3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H18N2O5/c1-21-13-8-6-5-7-12(13)17-19-18(25-20-17)11-9-14(22-2)16(24-4)15(10-11)23-3/h5-10H,1-4H3
InChIKeyOXNUPLFRTPGXAW-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.44
Rot. Bonds6

About 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 666344) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID666344
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H18N2O5/c1-21-13-8-6-5-7-12(13)17-19-18(25-20-17)11-9-14(22-2)16(24-4)15(10-11)23-3/h5-10H,1-4H3
InChIKeyOXNUPLFRTPGXAW-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 666344) is 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is OXNUPLFRTPGXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-21-13-8-6-5-7-12(13)17-19-18(25-20-17)11-9-14(22-2)16(24-4)15(10-11)23-3/h5-10H,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-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 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 666344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).