3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C16H11FN2O3 — CID 16785824

IUPAC3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12
InChIInChI=1S/C16H11FN2O3/c17-10-5-3-8(4-6-10)12-7-11(16(20)21)13-14(9-1-2-9)19-22-15(13)18-12/h3-7,9H,1-2H2,(H,20,21)
InChIKeySKYTVXWEFWNEHT-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.60
Rot. Bonds3

About 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 16785824) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID16785824
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12
InChIInChI=1S/C16H11FN2O3/c17-10-5-3-8(4-6-10)12-7-11(16(20)21)13-14(9-1-2-9)19-22-15(13)18-12/h3-7,9H,1-2H2,(H,20,21)
InChIKeySKYTVXWEFWNEHT-UHFFFAOYSA-N
XLogP3.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 16785824) is 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12.
What is the InChIKey of 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is SKYTVXWEFWNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-10-5-3-8(4-6-10)12-7-11(16(20)21)13-14(9-1-2-9)19-22-15(13)18-12/h3-7,9H,1-2H2,(H,20,21).
What are the key properties of 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 298.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 16785824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).