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

C10H10N2O3 — CID 10352930

IUPAC3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(OC)no2)cc1
InChIInChI=1S/C10H10N2O3/c1-13-8-5-3-7(4-6-8)9-11-10(14-2)12-15-9/h3-6H,1-2H3
InChIKeyHFRBHZJVYRSKRD-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.75
Rot. Bonds3

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

3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 10352930) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID10352930
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(OC)no2)cc1
InChIInChI=1S/C10H10N2O3/c1-13-8-5-3-7(4-6-8)9-11-10(14-2)12-15-9/h3-6H,1-2H3
InChIKeyHFRBHZJVYRSKRD-UHFFFAOYSA-N
XLogP1.75
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 10352930) is 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(OC)no2)cc1.
What is the InChIKey of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is HFRBHZJVYRSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-13-8-5-3-7(4-6-8)9-11-10(14-2)12-15-9/h3-6H,1-2H3.
What are the key properties of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 206.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 10352930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).