5-methoxy-1,2,4-oxadiazol-3-amine

C3H5N3O2 — CID 23279316

IUPAC5-methoxy-1,2,4-oxadiazol-3-amine
SMILESCOc1nc(N)no1
InChIInChI=1S/C3H5N3O2/c1-7-3-5-2(4)6-8-3/h1H3,(H2,4,6)
InChIKeySZORYQPZNOIXEL-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.34
Rot. Bonds1

About 5-methoxy-1,2,4-oxadiazol-3-amine

5-methoxy-1,2,4-oxadiazol-3-amine (PubChem CID 23279316) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 5-methoxy-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-methoxy-1,2,4-oxadiazol-3-amine
PubChem CID23279316
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name5-methoxy-1,2,4-oxadiazol-3-amine
SMILESCOc1nc(N)no1
InChIInChI=1S/C3H5N3O2/c1-7-3-5-2(4)6-8-3/h1H3,(H2,4,6)
InChIKeySZORYQPZNOIXEL-UHFFFAOYSA-N
XLogP-0.34
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-methoxy-1,2,4-oxadiazol-3-amine (CID 23279316) is 5-methoxy-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-methoxy-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-methoxy-1,2,4-oxadiazol-3-amine is COc1nc(N)no1.
What is the InChIKey of 5-methoxy-1,2,4-oxadiazol-3-amine?
The InChIKey is SZORYQPZNOIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c1-7-3-5-2(4)6-8-3/h1H3,(H2,4,6).
What are the key properties of 5-methoxy-1,2,4-oxadiazol-3-amine?
5-methoxy-1,2,4-oxadiazol-3-amine has a molecular weight of 115.09 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 23279316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).