3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole

C19H20N2O4 — CID 706136

IUPAC3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-5-7-15(13(2)9-12)24-11-18-20-19(21-25-18)14-6-8-16(22-3)17(10-14)23-4/h5-10H,11H2,1-4H3
InChIKeyFCRCCTHIMAXROP-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.95
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 706136) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID706136
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-5-7-15(13(2)9-12)24-11-18-20-19(21-25-18)14-6-8-16(22-3)17(10-14)23-4/h5-10H,11H2,1-4H3
InChIKeyFCRCCTHIMAXROP-UHFFFAOYSA-N
XLogP3.95
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole (CID 706136) is 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(COc3ccc(C)cc3C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is FCRCCTHIMAXROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-5-7-15(13(2)9-12)24-11-18-20-19(21-25-18)14-6-8-16(22-3)17(10-14)23-4/h5-10H,11H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 340.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 706136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).