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

C16H31N3O — CID 65427378

IUPAC1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
SMILESCCCCCCCCc1nnc(C(CC)NCCC)o1
InChIInChI=1S/C16H31N3O/c1-4-7-8-9-10-11-12-15-18-19-16(20-15)14(6-3)17-13-5-2/h14,17H,4-13H2,1-3H3
InChIKeyTZTFWYILMHAFKZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.42
Rot. Bonds12

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

1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine (PubChem CID 65427378) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
PubChem CID65427378
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
SMILESCCCCCCCCc1nnc(C(CC)NCCC)o1
InChIInChI=1S/C16H31N3O/c1-4-7-8-9-10-11-12-15-18-19-16(20-15)14(6-3)17-13-5-2/h14,17H,4-13H2,1-3H3
InChIKeyTZTFWYILMHAFKZ-UHFFFAOYSA-N
XLogP4.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.42
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 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine (CID 65427378) is 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine is CCCCCCCCc1nnc(C(CC)NCCC)o1.
What is the InChIKey of 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is TZTFWYILMHAFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-7-8-9-10-11-12-15-18-19-16(20-15)14(6-3)17-13-5-2/h14,17H,4-13H2,1-3H3.
What are the key properties of 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine?
1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.42, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65427378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).