3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C14H9N3O4 — CID 107369823

IUPAC3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cccc2ccncc12)c1cc(C(=O)O)on1
InChIInChI=1S/C14H9N3O4/c18-13(11-6-12(14(19)20)21-17-11)16-10-3-1-2-8-4-5-15-7-9(8)10/h1-7H,(H,16,18)(H,19,20)
InChIKeyYNGIZLURXYTTTJ-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.17
Rot. Bonds3

About 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid

3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369823) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369823
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cccc2ccncc12)c1cc(C(=O)O)on1
InChIInChI=1S/C14H9N3O4/c18-13(11-6-12(14(19)20)21-17-11)16-10-3-1-2-8-4-5-15-7-9(8)10/h1-7H,(H,16,18)(H,19,20)
InChIKeyYNGIZLURXYTTTJ-UHFFFAOYSA-N
XLogP2.17
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167
isoquinolin-8-ylurea
CID 67363282
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
CID 103747527
(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945466
4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
CID 103747532
5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide
CID 101124821
2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid
CID 11779892
3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370049
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107530858
2-chloro-N-isoquinolin-5-ylfuran-3-carboxamide
CID 106685472

Frequently Asked Questions

What is the IUPAC name of 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369823) is 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid is O=C(Nc1cccc2ccncc12)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is YNGIZLURXYTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-13(11-6-12(14(19)20)21-17-11)16-10-3-1-2-8-4-5-15-7-9(8)10/h1-7H,(H,16,18)(H,19,20).
What are the key properties of 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).