5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid

C17H13NO4 — CID 100802083

IUPAC5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cccc(Oc3ccccc3)c2)c1C(=O)O
InChIInChI=1S/C17H13NO4/c1-11-15(17(19)20)16(18-22-11)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10H,1H3,(H,19,20)
InChIKeyHSOQQWAPIUBKCB-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.14
Rot. Bonds4

About 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid

5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 100802083) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID100802083
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cccc(Oc3ccccc3)c2)c1C(=O)O
InChIInChI=1S/C17H13NO4/c1-11-15(17(19)20)16(18-22-11)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10H,1H3,(H,19,20)
InChIKeyHSOQQWAPIUBKCB-UHFFFAOYSA-N
XLogP4.14
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 100802083) is 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2cccc(Oc3ccccc3)c2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is HSOQQWAPIUBKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-11-15(17(19)20)16(18-22-11)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10H,1H3,(H,19,20).
What are the key properties of 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid?
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 100802083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).