5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole

C7H11FN2O — CID 176864350

IUPAC5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CF)no1
InChIInChI=1S/C7H11FN2O/c1-7(2,3)6-9-5(4-8)10-11-6/h4H2,1-3H3
InChIKeyMUQQTKKAHXKPGG-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.84
Rot. Bonds1

About 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole

5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole (PubChem CID 176864350) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
PubChem CID176864350
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CF)no1
InChIInChI=1S/C7H11FN2O/c1-7(2,3)6-9-5(4-8)10-11-6/h4H2,1-3H3
InChIKeyMUQQTKKAHXKPGG-UHFFFAOYSA-N
XLogP1.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
5-tert-butyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 130636836
3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole
CID 61372910
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol
CID 43502552
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl methanesulfonate
CID 135204657
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 43352518
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine
CID 115927669
1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63102062
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl carbamimidothioate
CID 65211913
5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 63874621

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole (CID 176864350) is 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole is CC(C)(C)c1nc(CF)no1.
What is the InChIKey of 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole?
The InChIKey is MUQQTKKAHXKPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-7(2,3)6-9-5(4-8)10-11-6/h4H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole has a molecular weight of 158.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 176864350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).