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

C9H9N3O2 — CID 679504

IUPAC5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKeyIEJVXWOVBNWQCY-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.33
Rot. Bonds2

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

5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 679504) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID679504
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKeyIEJVXWOVBNWQCY-UHFFFAOYSA-N
XLogP1.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 679504) is 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(N)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IEJVXWOVBNWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 191.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 679504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).