5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine

C11H19F3N4O — CID 106963929

IUPAC5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCCC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O/c1-3-6-15-8(2)9-17-18-10(19-9)16-7-4-5-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyMNKJWZUCTQNFJA-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.88
Rot. Bonds8

About 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine

5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963929) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963929
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCCC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O/c1-3-6-15-8(2)9-17-18-10(19-9)16-7-4-5-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyMNKJWZUCTQNFJA-UHFFFAOYSA-N
XLogP2.88
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.88
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-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine (CID 106963929) is 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCCCC(F)(F)F)o1.
What is the InChIKey of 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MNKJWZUCTQNFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-3-6-15-8(2)9-17-18-10(19-9)16-7-4-5-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.29 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).