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

C13H25N3O — CID 10900725

IUPAC3-undecyl-1,2,4-oxadiazol-5-amine
SMILESCCCCCCCCCCCc1noc(N)n1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)17-16-12/h2-11H2,1H3,(H2,14,15,16)
InChIKeyKWPJACTVJSJHOB-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.73
Rot. Bonds10

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

3-undecyl-1,2,4-oxadiazol-5-amine (PubChem CID 10900725) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-undecyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-undecyl-1,2,4-oxadiazol-5-amine
PubChem CID10900725
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-undecyl-1,2,4-oxadiazol-5-amine
SMILESCCCCCCCCCCCc1noc(N)n1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)17-16-12/h2-11H2,1H3,(H2,14,15,16)
InChIKeyKWPJACTVJSJHOB-UHFFFAOYSA-N
XLogP3.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.73
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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Related Compounds

3-pentyl-1,2,4-oxadiazol-5-amine
CID 139520354
3-[12-(5-amino-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-amine
CID 71378288
ethane;3-propyl-1,2,4-oxadiazol-5-amine
CID 153346311
3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 115079637
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
5-ethenyl-3-octyl-1,2,4-oxadiazole
CID 156799943
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine
CID 67188414
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327

Frequently Asked Questions

What is the IUPAC name of 3-undecyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-undecyl-1,2,4-oxadiazol-5-amine (CID 10900725) is 3-undecyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-undecyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-undecyl-1,2,4-oxadiazol-5-amine is CCCCCCCCCCCc1noc(N)n1.
What is the InChIKey of 3-undecyl-1,2,4-oxadiazol-5-amine?
The InChIKey is KWPJACTVJSJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)17-16-12/h2-11H2,1H3,(H2,14,15,16).
What are the key properties of 3-undecyl-1,2,4-oxadiazol-5-amine?
3-undecyl-1,2,4-oxadiazol-5-amine has a molecular weight of 239.36 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 10900725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).