5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine

C11H19F3N4O — CID 106963973

IUPAC5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCCCCC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O/c1-2-6-15-8-9-17-18-10(19-9)16-7-4-3-5-11(12,13)14/h15H,2-8H2,1H3,(H,16,18)
InChIKeyWGZDCSNVABTSRZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.71
Rot. Bonds9

About 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine

5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963973) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963973
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCCCCC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O/c1-2-6-15-8-9-17-18-10(19-9)16-7-4-3-5-11(12,13)14/h15H,2-8H2,1H3,(H,16,18)
InChIKeyWGZDCSNVABTSRZ-UHFFFAOYSA-N
XLogP2.71
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine (CID 106963973) is 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NCCCCC(F)(F)F)o1.
What is the InChIKey of 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WGZDCSNVABTSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-2-6-15-8-9-17-18-10(19-9)16-7-4-3-5-11(12,13)14/h15H,2-8H2,1H3,(H,16,18).
What are the key properties of 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine?
5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.29 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).