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

C6H11N3O2 — CID 107940711

IUPAC5-(propoxymethyl)-1,2,4-oxadiazol-3-amine
SMILESCCCOCc1nc(N)no1
InChIInChI=1S/C6H11N3O2/c1-2-3-10-4-5-8-6(7)9-11-5/h2-4H2,1H3,(H2,7,9)
InChIKeyTWEBLZQWHSJOMJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.58
Rot. Bonds4

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

5-(propoxymethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 107940711) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(propoxymethyl)-1,2,4-oxadiazol-3-amine
PubChem CID107940711
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name5-(propoxymethyl)-1,2,4-oxadiazol-3-amine
SMILESCCCOCc1nc(N)no1
InChIInChI=1S/C6H11N3O2/c1-2-3-10-4-5-8-6(7)9-11-5/h2-4H2,1H3,(H2,7,9)
InChIKeyTWEBLZQWHSJOMJ-UHFFFAOYSA-N
XLogP0.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine
CID 103211788
3-Chloro-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211796
3-Iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211800
5-(Methoxymethyl)-1,2,4-oxadiazol-3-amine
CID 51000339
(3-Methyl-1,2,4-oxadiazol-5-yl)methyl acetate
CID 53995720
5-(Methoxymethyl)-3-methyl-1,2,4-oxadiazole
CID 54080369
3-Ethyl-5-(methoxymethyl)-1,2,4-oxadiazole
CID 58806191
5-(Ethoxymethyl)-3-propyl-1,2,4-oxadiazole
CID 68038653
5-(Propan-2-yloxymethyl)-1,2,4-oxadiazole
CID 89147824
5-(Ethoxymethyl)-3-methyl-1,2,4-oxadiazole
CID 89983871
5-(Ethoxymethyl)-1,2,4-oxadiazole
CID 90687957
3-Iodo-5-(methoxymethyl)-1,2,4-oxadiazole
CID 112572172

Frequently Asked Questions

What is the IUPAC name of 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine (CID 107940711) is 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine is CCCOCc1nc(N)no1.
What is the InChIKey of 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is TWEBLZQWHSJOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-2-3-10-4-5-8-6(7)9-11-5/h2-4H2,1H3,(H2,7,9).
What are the key properties of 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine?
5-(propoxymethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 157.17 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 107940711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).