3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid

C12H11NO4 — CID 117337507

IUPAC3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)on2)ccc1C
InChIInChI=1S/C12H11NO4/c1-7-3-4-8(5-10(7)16-2)9-6-11(12(14)15)17-13-9/h3-6H,1-2H3,(H,14,15)
InChIKeyURKATEWFWNSXSD-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.36
Rot. Bonds3

About 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid

3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117337507) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117337507
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)on2)ccc1C
InChIInChI=1S/C12H11NO4/c1-7-3-4-8(5-10(7)16-2)9-6-11(12(14)15)17-13-9/h3-6H,1-2H3,(H,14,15)
InChIKeyURKATEWFWNSXSD-UHFFFAOYSA-N
XLogP2.36
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117337507) is 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid is COc1cc(-c2cc(C(=O)O)on2)ccc1C.
What is the InChIKey of 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is URKATEWFWNSXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-3-4-8(5-10(7)16-2)9-6-11(12(14)15)17-13-9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117337507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).