5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid

C9H8N2O3 — CID 137185406

IUPAC5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1coc(-c2ccc(C(=O)O)[nH]2)n1
InChIInChI=1S/C9H8N2O3/c1-5-4-14-8(10-5)6-2-3-7(11-6)9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyAVWUAPTZXFDYSI-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.68
Rot. Bonds2

About 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid

5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 137185406) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID137185406
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1coc(-c2ccc(C(=O)O)[nH]2)n1
InChIInChI=1S/C9H8N2O3/c1-5-4-14-8(10-5)6-2-3-7(11-6)9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyAVWUAPTZXFDYSI-UHFFFAOYSA-N
XLogP1.68
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
CID 117223058
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174
2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82478867
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-5-sulfamoylbenzoic acid
CID 106921145
5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110142
chloromethane;ethane;6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715308
5-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 22507236
5-bromo-2-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 107874095
5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide
CID 131731313
3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
CID 110025780
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106921161

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid (CID 137185406) is 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid is Cc1coc(-c2ccc(C(=O)O)[nH]2)n1.
What is the InChIKey of 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is AVWUAPTZXFDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-4-14-8(10-5)6-2-3-7(11-6)9(12)13/h2-4,11H,1H3,(H,12,13).
What are the key properties of 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid?
5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-oxazol-2-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 137185406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).