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

C14H9FN2O3 — CID 22320611

IUPAC6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(Cc3ccc(F)cc3)cnc2o1
InChIInChI=1S/C14H9FN2O3/c15-10-3-1-8(2-4-10)5-9-6-11-12(16-7-9)20-13(17-11)14(18)19/h1-4,6-7H,5H2,(H,18,19)
InChIKeyUZPKMLGZARKAOX-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.65
Rot. Bonds3

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

6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid (PubChem CID 22320611) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid
PubChem CID22320611
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(Cc3ccc(F)cc3)cnc2o1
InChIInChI=1S/C14H9FN2O3/c15-10-3-1-8(2-4-10)5-9-6-11-12(16-7-9)20-13(17-11)14(18)19/h1-4,6-7H,5H2,(H,18,19)
InChIKeyUZPKMLGZARKAOX-UHFFFAOYSA-N
XLogP2.65
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid (CID 22320611) is 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid is O=C(O)c1nc2cc(Cc3ccc(F)cc3)cnc2o1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
The InChIKey is UZPKMLGZARKAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-10-3-1-8(2-4-10)5-9-6-11-12(16-7-9)20-13(17-11)14(18)19/h1-4,6-7H,5H2,(H,18,19).
What are the key properties of 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22320611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).