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

C14H10N2O3 — CID 16790066

IUPAC3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1ccc(-c2noc3ncc(C(=O)O)cc23)cc1
InChIInChI=1S/C14H10N2O3/c1-8-2-4-9(5-3-8)12-11-6-10(14(17)18)7-15-13(11)19-16-12/h2-7H,1H3,(H,17,18)
InChIKeyGNRRYQPQZVZROX-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.90
Rot. Bonds2

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

3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 16790066) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID16790066
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1ccc(-c2noc3ncc(C(=O)O)cc23)cc1
InChIInChI=1S/C14H10N2O3/c1-8-2-4-9(5-3-8)12-11-6-10(14(17)18)7-15-13(11)19-16-12/h2-7H,1H3,(H,17,18)
InChIKeyGNRRYQPQZVZROX-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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Related Compounds

3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
3-(4-methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
CID 83913838
6-methylazulene-2-carboxylic acid
CID 57055895
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 61261892
5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 130311058
6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 82120696
4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
CID 171697581
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 74888630
6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 82119054

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 16790066) is 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is Cc1ccc(-c2noc3ncc(C(=O)O)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is GNRRYQPQZVZROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-2-4-9(5-3-8)12-11-6-10(14(17)18)7-15-13(11)19-16-12/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
3-(4-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-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16790066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).