1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine

C11H18F3N3O — CID 43559931

IUPAC1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
SMILESCCCCCCCC(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-2-3-4-5-6-7-8(15)9-16-10(18-17-9)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyUVOIPVASKQUKIT-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.45
Rot. Bonds7

About 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine

1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine (PubChem CID 43559931) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
PubChem CID43559931
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
SMILESCCCCCCCC(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-2-3-4-5-6-7-8(15)9-16-10(18-17-9)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyUVOIPVASKQUKIT-UHFFFAOYSA-N
XLogP3.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.45
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-propoxy-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634345
1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
CID 43559341
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 82008553
2,4-dimethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-amine
CID 114201057
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 103594655
2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633234
3-(1-bromoethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132849221
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634387
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
(4-ethoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560016

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine (CID 43559931) is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine is CCCCCCCC(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine?
The InChIKey is UVOIPVASKQUKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-3-4-5-6-7-8(15)9-16-10(18-17-9)11(12,13)14/h8H,2-7,15H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine?
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine is sourced from PubChem (CID 43559931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).