3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole

C8H11F3N2O — CID 137442560

IUPAC3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O/c1-2-3-4-5-6-12-7(14-13-6)8(9,10)11/h2-5H2,1H3
InChIKeyWMSXEELVNYPRCQ-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.82
Rot. Bonds4

About 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole

3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 137442560) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID137442560
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O/c1-2-3-4-5-6-12-7(14-13-6)8(9,10)11/h2-5H2,1H3
InChIKeyWMSXEELVNYPRCQ-UHFFFAOYSA-N
XLogP2.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-octyl-1,2,4-oxadiazole
CID 13676613
3-(Trifluoromethyl)-5-undecyl-1,2,4-oxadiazole
CID 11208579
5-(Trifluoromethyl)-3-undecyl-1,2,4-oxadiazole
CID 11460553
2-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 11957739
1-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 13188674
3-Methyl-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 18999112
5-Methyl-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 20691961
3-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 20755082
3-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 20755083
5-(Difluoromethyl)-3-methyl-1,2,4-oxadiazole
CID 53948191
5-(2-Fluoropropan-2-yl)-3-methyl-1,2,4-oxadiazole
CID 57893823
3-Ethyl-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 57893824

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 137442560) is 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole is CCCCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is WMSXEELVNYPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-3-4-5-6-12-7(14-13-6)8(9,10)11/h2-5H2,1H3.
What are the key properties of 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 208.18 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 137442560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).