5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid

C11H9NO4 — CID 2779782

IUPAC5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2ocnc2C(=O)O)cc1
InChIInChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-9(11(13)14)12-6-16-10/h2-6H,1H3,(H,13,14)
InChIKeyXVXCIDWYZMBWJU-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.05
Rot. Bonds3

About 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid

5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 2779782) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID2779782
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2ocnc2C(=O)O)cc1
InChIInChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-9(11(13)14)12-6-16-10/h2-6H,1H3,(H,13,14)
InChIKeyXVXCIDWYZMBWJU-UHFFFAOYSA-N
XLogP2.05
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 2779782) is 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid is COc1ccc(-c2ocnc2C(=O)O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is XVXCIDWYZMBWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-9(11(13)14)12-6-16-10/h2-6H,1H3,(H,13,14).
What are the key properties of 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 2779782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).