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

C18H18N2O3 — CID 912578

IUPAC3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-11-7-12(2)9-14(8-11)18-19-17(20-23-18)13-5-6-15(21-3)16(10-13)22-4/h5-10H,1-4H3
InChIKeyHFLYWBXCARIYJY-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.04
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole (PubChem CID 912578) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
PubChem CID912578
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-11-7-12(2)9-14(8-11)18-19-17(20-23-18)13-5-6-15(21-3)16(10-13)22-4/h5-10H,1-4H3
InChIKeyHFLYWBXCARIYJY-UHFFFAOYSA-N
XLogP4.04
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole (CID 912578) is 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole?
The InChIKey is HFLYWBXCARIYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-7-12(2)9-14(8-11)18-19-17(20-23-18)13-5-6-15(21-3)16(10-13)22-4/h5-10H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole has a molecular weight of 310.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 912578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).