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

C11H9NO3 — CID 29078564

IUPAC3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C11H9NO3/c1-7-3-2-4-8(5-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14)
InChIKeyPDDMXZJKQIWUNQ-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

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

3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 29078564) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID29078564
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C11H9NO3/c1-7-3-2-4-8(5-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14)
InChIKeyPDDMXZJKQIWUNQ-UHFFFAOYSA-N
XLogP2.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 29078564) is 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid is Cc1cccc(-c2cc(C(=O)O)on2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is PDDMXZJKQIWUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-3-2-4-8(5-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14).
What are the key properties of 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 29078564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).