fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate

C6H7FN2O4 — CID 169164116

IUPACfluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCC(C)(O)c1noc(C(=O)OF)n1
InChIInChI=1S/C6H7FN2O4/c1-6(2,11)5-8-3(13-9-5)4(10)12-7/h11H,1-2H3
InChIKeyJRGFSBFEHLWXLP-UHFFFAOYSA-N
MW190.13 g/mol
LogP0.34
Rot. Bonds2

About fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate

fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 169164116) has the molecular formula C6H7FN2O4 and a molecular weight of 190.13 g/mol. Its IUPAC name is fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Namefluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID169164116
Molecular FormulaC6H7FN2O4
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Namefluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCC(C)(O)c1noc(C(=O)OF)n1
InChIInChI=1S/C6H7FN2O4/c1-6(2,11)5-8-3(13-9-5)4(10)12-7/h11H,1-2H3
InChIKeyJRGFSBFEHLWXLP-UHFFFAOYSA-N
XLogP0.34
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 168885311
sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride
CID 175357428
3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane
CID 142291313
ethyl 3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
CID 64759934
3-tert-butyl-N-methoxy-1,2,4-oxadiazole-5-carboxamide
CID 58336893
3-(trichloromethyl)-1,2,4-oxadiazole-5-carboxamide
CID 20522298
methyl 3-(6-bromo-2-pyridinyl)-1,2,4-oxadiazole-5-carboxylate
CID 58366196
fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate
CID 169164187
fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate
CID 144870360
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 79197731
1-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 131065542
ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazole-5-carboxylate
CID 50742305

Frequently Asked Questions

What is the IUPAC name of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate (CID 169164116) is fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate is CC(C)(O)c1noc(C(=O)OF)n1.
What is the InChIKey of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is JRGFSBFEHLWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O4/c1-6(2,11)5-8-3(13-9-5)4(10)12-7/h11H,1-2H3.
What are the key properties of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 190.13 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 169164116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).