2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid

C13H8N2O3 — CID 122563207

IUPAC2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cccc3cnccc23)n1
InChIInChI=1S/C13H8N2O3/c16-13(17)11-7-18-12(15-11)10-3-1-2-8-6-14-5-4-9(8)10/h1-7H,(H,16,17)
InChIKeySXVUKOLYQZQQIO-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.59
Rot. Bonds2

About 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid

2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 122563207) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid
PubChem CID122563207
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cccc3cnccc23)n1
InChIInChI=1S/C13H8N2O3/c16-13(17)11-7-18-12(15-11)10-3-1-2-8-6-14-5-4-9(8)10/h1-7H,(H,16,17)
InChIKeySXVUKOLYQZQQIO-UHFFFAOYSA-N
XLogP2.59
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
2-fluoro-4-isoquinolin-5-ylbenzoic acid
CID 62811951
6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66458597
2-isoquinolin-5-ylbenzamide
CID 39817654
3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
5-(furan-3-yl)isoquinoline
CID 102045200
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
2-fluoro-6-isoquinolin-5-ylbenzamide
CID 50962592
2-[(4-isoquinolin-5-ylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 11545045
5-pyrimidin-5-ylisoquinoline
CID 141337488

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid (CID 122563207) is 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2cccc3cnccc23)n1.
What is the InChIKey of 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is SXVUKOLYQZQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-13(17)11-7-18-12(15-11)10-3-1-2-8-6-14-5-4-9(8)10/h1-7H,(H,16,17).
What are the key properties of 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid?
2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 122563207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).