5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol

C8H11F3N2O2 — CID 167077907

IUPAC5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol
SMILESOCCCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7-12-6(13-15-7)4-2-1-3-5-14/h14H,1-5H2
InChIKeyCGRQLJHLCSVGOC-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.79
Rot. Bonds5

About 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol

5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol (PubChem CID 167077907) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol
PubChem CID167077907
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol
SMILESOCCCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7-12-6(13-15-7)4-2-1-3-5-14/h14H,1-5H2
InChIKeyCGRQLJHLCSVGOC-UHFFFAOYSA-N
XLogP1.79
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.79
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

methyl 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoate
CID 166977468
3-bromo-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentyl]aniline
CID 166977158
3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79964447
methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate
CID 166977426
N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
CID 71559173
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 162110207
N-propan-2-yl-4-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]heptanoylamino]benzamide
CID 167308930
3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 115079637
2-methylsulfanyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77080312
S-sulfanyl N-methyl-N-[4-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]heptanoylamino]phenyl]carbamothioate
CID 167309149
N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
CID 71558109
1-(3-bromophenyl)-3-tert-butyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentyl]urea
CID 166977261

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol?
The IUPAC name of 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol (CID 167077907) is 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol?
The canonical SMILES for 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol is OCCCCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol?
The InChIKey is CGRQLJHLCSVGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)7-12-6(13-15-7)4-2-1-3-5-14/h14H,1-5H2.
What are the key properties of 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol?
5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol has a molecular weight of 224.18 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol is sourced from PubChem (CID 167077907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).