1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C8H15N3O2 — CID 104880073

IUPAC1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCCOCc1nc(C(C)N)no1
InChIInChI=1S/C8H15N3O2/c1-3-4-12-5-7-10-8(6(2)9)11-13-7/h6H,3-5,9H2,1-2H3
InChIKeyWKTRWZCWVZXWKU-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.02
Rot. Bonds5

About 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104880073) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104880073
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCCOCc1nc(C(C)N)no1
InChIInChI=1S/C8H15N3O2/c1-3-4-12-5-7-10-8(6(2)9)11-13-7/h6H,3-5,9H2,1-2H3
InChIKeyWKTRWZCWVZXWKU-UHFFFAOYSA-N
XLogP1.02
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.02
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

1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 112603748
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62589330
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine
CID 62338045
1-[5-(3-methoxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634267
3-(chloromethyl)-5-(propoxymethyl)-1,2,4-oxadiazole
CID 107939303
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine
CID 62342220
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104879987
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 114212437
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634360
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
CID 104634245

Frequently Asked Questions

What is the IUPAC name of 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104880073) is 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CCCOCc1nc(C(C)N)no1.
What is the InChIKey of 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is WKTRWZCWVZXWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-4-12-5-7-10-8(6(2)9)11-13-7/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 185.23 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104880073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).