5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

C7H9FN2O3 — CID 152556076

IUPAC5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(C)(CF)c1nc(C(=O)O)no1
InChIInChI=1S/C7H9FN2O3/c1-7(2,3-8)6-9-4(5(11)12)10-13-6/h3H2,1-2H3,(H,11,12)
InChIKeyYOMXRXYAFDKQFF-UHFFFAOYSA-N
MW188.16 g/mol
LogP1.01
Rot. Bonds3

About 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 152556076) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID152556076
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(C)(CF)c1nc(C(=O)O)no1
InChIInChI=1S/C7H9FN2O3/c1-7(2,3-8)6-9-4(5(11)12)10-13-6/h3H2,1-2H3,(H,11,12)
InChIKeyYOMXRXYAFDKQFF-UHFFFAOYSA-N
XLogP1.01
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 152556076) is 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is CC(C)(CF)c1nc(C(=O)O)no1.
What is the InChIKey of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is YOMXRXYAFDKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-7(2,3-8)6-9-4(5(11)12)10-13-6/h3H2,1-2H3,(H,11,12).
What are the key properties of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 188.16 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 152556076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).