5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid

C12H11NO4 — CID 137007313

IUPAC5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)c(O)c1C
InChIInChI=1S/C12H11NO4/c1-6-3-4-8(11(14)7(6)2)10-5-9(12(15)16)13-17-10/h3-5,14H,1-2H3,(H,15,16)
InChIKeyZKSAXYZQFJTMEH-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.36
Rot. Bonds2

About 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 137007313) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID137007313
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)c(O)c1C
InChIInChI=1S/C12H11NO4/c1-6-3-4-8(11(14)7(6)2)10-5-9(12(15)16)13-17-10/h3-5,14H,1-2H3,(H,15,16)
InChIKeyZKSAXYZQFJTMEH-UHFFFAOYSA-N
XLogP2.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(4-bromo-2,3-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966377
5-(4,5-dihydroxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998049
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2-methyl-4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375885
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(4-methyl-2-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375884
5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431805

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid (CID 137007313) is 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)no2)c(O)c1C.
What is the InChIKey of 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZKSAXYZQFJTMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-6-3-4-8(11(14)7(6)2)10-5-9(12(15)16)13-17-10/h3-5,14H,1-2H3,(H,15,16).
What are the key properties of 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 137007313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).