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

C4H7N3O2 — CID 51000339

IUPAC5-(methoxymethyl)-1,2,4-oxadiazol-3-amine
SMILESCOCc1nc(N)no1
InChIInChI=1S/C4H7N3O2/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3,(H2,5,7)
InChIKeyOOUORMCQSPGAQB-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.20
Rot. Bonds2

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

5-(methoxymethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 51000339) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,4-oxadiazol-3-amine
PubChem CID51000339
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name5-(methoxymethyl)-1,2,4-oxadiazol-3-amine
SMILESCOCc1nc(N)no1
InChIInChI=1S/C4H7N3O2/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3,(H2,5,7)
InChIKeyOOUORMCQSPGAQB-UHFFFAOYSA-N
XLogP-0.20
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine (CID 51000339) is 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine is COCc1nc(N)no1.
What is the InChIKey of 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is OOUORMCQSPGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3,(H2,5,7).
What are the key properties of 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine?
5-(methoxymethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 129.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 51000339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).