5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine

C10H11N3O3 — CID 63691181

IUPAC5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
SMILESCOc1ccc(-c2nc(N)no2)c(OC)c1
InChIInChI=1S/C10H11N3O3/c1-14-6-3-4-7(8(5-6)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyXXGZOCHIFQJJJP-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.34
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine

5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 63691181) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
PubChem CID63691181
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
SMILESCOc1ccc(-c2nc(N)no2)c(OC)c1
InChIInChI=1S/C10H11N3O3/c1-14-6-3-4-7(8(5-6)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyXXGZOCHIFQJJJP-UHFFFAOYSA-N
XLogP1.34
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine (CID 63691181) is 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine is COc1ccc(-c2nc(N)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is XXGZOCHIFQJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-14-6-3-4-7(8(5-6)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine?
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 221.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63691181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).