1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine

C14H27N3O — CID 65428528

IUPAC1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCCCCCCCCc1nc(C(N)CCC)no1
InChIInChI=1S/C14H27N3O/c1-3-5-6-7-8-9-11-13-16-14(17-18-13)12(15)10-4-2/h12H,3-11,15H2,1-2H3
InChIKeyUVKLVVRZICVRCU-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.77
Rot. Bonds10

About 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine

1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine (PubChem CID 65428528) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
PubChem CID65428528
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCCCCCCCCc1nc(C(N)CCC)no1
InChIInChI=1S/C14H27N3O/c1-3-5-6-7-8-9-11-13-16-14(17-18-13)12(15)10-4-2/h12H,3-11,15H2,1-2H3
InChIKeyUVKLVVRZICVRCU-UHFFFAOYSA-N
XLogP3.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.77
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

2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633234
2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 113435433
1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704321
1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
CID 43559341
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
3-(1-chloropropyl)-5-octyl-1,2,4-oxadiazole
CID 103095587
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
CID 43559931
1-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62367459
1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325212
3-iodo-5-octyl-1,2,4-oxadiazole
CID 112572300
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114753767

Frequently Asked Questions

What is the IUPAC name of 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The IUPAC name of 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine (CID 65428528) is 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine.
What is the SMILES notation for 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The canonical SMILES for 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine is CCCCCCCCc1nc(C(N)CCC)no1.
What is the InChIKey of 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The InChIKey is UVKLVVRZICVRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-5-6-7-8-9-11-13-16-14(17-18-13)12(15)10-4-2/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 65428528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).