5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid

C11H6N2O4 — CID 117331927

IUPAC5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3oncc3c2)on1
InChIInChI=1S/C11H6N2O4/c14-11(15)8-4-10(17-13-8)6-1-2-9-7(3-6)5-12-16-9/h1-5H,(H,14,15)
InChIKeySUOKTGHCZKAWRG-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.18
Rot. Bonds2

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

5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117331927) has the molecular formula C11H6N2O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117331927
Molecular FormulaC11H6N2O4
Molecular Weight230.18 g/mol
Exact Mass230.03
IUPAC Name5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3oncc3c2)on1
InChIInChI=1S/C11H6N2O4/c14-11(15)8-4-10(17-13-8)6-1-2-9-7(3-6)5-12-16-9/h1-5H,(H,14,15)
InChIKeySUOKTGHCZKAWRG-UHFFFAOYSA-N
XLogP2.18
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117329817
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
CID 115003560
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117369563
ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 158537593
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 117331927) is 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc3oncc3c2)on1.
What is the InChIKey of 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is SUOKTGHCZKAWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O4/c14-11(15)8-4-10(17-13-8)6-1-2-9-7(3-6)5-12-16-9/h1-5H,(H,14,15).
What are the key properties of 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 230.18 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117331927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).