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

C14H10N2O3 — CID 54592812

IUPAC3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1ccccc1-c1noc2ncc(C(=O)O)cc12
InChIInChI=1S/C14H10N2O3/c1-8-4-2-3-5-10(8)12-11-6-9(14(17)18)7-15-13(11)19-16-12/h2-7H,1H3,(H,17,18)
InChIKeyJIUDUNZWOYVAPJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.90
Rot. Bonds2

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

3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 54592812) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID54592812
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1ccccc1-c1noc2ncc(C(=O)O)cc12
InChIInChI=1S/C14H10N2O3/c1-8-4-2-3-5-10(8)12-11-6-9(14(17)18)7-15-13(11)19-16-12/h2-7H,1H3,(H,17,18)
InChIKeyJIUDUNZWOYVAPJ-UHFFFAOYSA-N
XLogP2.90
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 54592812) is 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is Cc1ccccc1-c1noc2ncc(C(=O)O)cc12.
What is the InChIKey of 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is JIUDUNZWOYVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-4-2-3-5-10(8)12-11-6-9(14(17)18)7-15-13(11)19-16-12/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 54592812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).