2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid

C11H9NO4 — CID 118720204

IUPAC2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid
SMILESCOc1ccc(-c2cnco2)cc1C(=O)O
InChIInChI=1S/C11H9NO4/c1-15-9-3-2-7(4-8(9)11(13)14)10-5-12-6-16-10/h2-6H,1H3,(H,13,14)
InChIKeyGUMHSONMEOGPHX-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.05
Rot. Bonds3

About 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid

2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid (PubChem CID 118720204) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid
PubChem CID118720204
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid
SMILESCOc1ccc(-c2cnco2)cc1C(=O)O
InChIInChI=1S/C11H9NO4/c1-15-9-3-2-7(4-8(9)11(13)14)10-5-12-6-16-10/h2-6H,1H3,(H,13,14)
InChIKeyGUMHSONMEOGPHX-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 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid?
The IUPAC name of 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid (CID 118720204) is 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid is COc1ccc(-c2cnco2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid?
The InChIKey is GUMHSONMEOGPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-9-3-2-7(4-8(9)11(13)14)10-5-12-6-16-10/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid?
2-methoxy-5-(1,3-oxazol-5-yl)benzoic 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 2-methoxy-5-(1,3-oxazol-5-yl)benzoic acid is sourced from PubChem (CID 118720204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).