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

C10H19N3O — CID 11106308

IUPAC5-octyl-1,2,4-oxadiazol-3-amine
SMILESCCCCCCCCc1nc(N)no1
InChIInChI=1S/C10H19N3O/c1-2-3-4-5-6-7-8-9-12-10(11)13-14-9/h2-8H2,1H3,(H2,11,13)
InChIKeyAZJVGSOYIMMNAG-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.55
Rot. Bonds7

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

5-octyl-1,2,4-oxadiazol-3-amine (PubChem CID 11106308) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-octyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-octyl-1,2,4-oxadiazol-3-amine
PubChem CID11106308
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5-octyl-1,2,4-oxadiazol-3-amine
SMILESCCCCCCCCc1nc(N)no1
InChIInChI=1S/C10H19N3O/c1-2-3-4-5-6-7-8-9-12-10(11)13-14-9/h2-8H2,1H3,(H2,11,13)
InChIKeyAZJVGSOYIMMNAG-UHFFFAOYSA-N
XLogP2.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-octyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-octyl-1,2,4-oxadiazol-3-amine (CID 11106308) is 5-octyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-octyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-octyl-1,2,4-oxadiazol-3-amine is CCCCCCCCc1nc(N)no1.
What is the InChIKey of 5-octyl-1,2,4-oxadiazol-3-amine?
The InChIKey is AZJVGSOYIMMNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-3-4-5-6-7-8-9-12-10(11)13-14-9/h2-8H2,1H3,(H2,11,13).
What are the key properties of 5-octyl-1,2,4-oxadiazol-3-amine?
5-octyl-1,2,4-oxadiazol-3-amine has a molecular weight of 197.28 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 11106308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).