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

C9H8N2O2 — CID 15369611

IUPAC3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ncon2)cc1
InChIInChI=1S/C9H8N2O2/c1-12-8-4-2-7(3-5-8)9-10-6-13-11-9/h2-6H,1H3
InChIKeyLRAJKSNHAPTXKV-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.75
Rot. Bonds2

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

3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 15369611) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID15369611
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ncon2)cc1
InChIInChI=1S/C9H8N2O2/c1-12-8-4-2-7(3-5-8)9-10-6-13-11-9/h2-6H,1H3
InChIKeyLRAJKSNHAPTXKV-UHFFFAOYSA-N
XLogP1.75
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 15369611) is 3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LRAJKSNHAPTXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-12-8-4-2-7(3-5-8)9-10-6-13-11-9/h2-6H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 176.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 15369611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).