2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid

C10H7NO4 — CID 90672089

IUPAC2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncco2)cc1O
InChIInChI=1S/C10H7NO4/c12-8-5-6(9-11-3-4-15-9)1-2-7(8)10(13)14/h1-5,12H,(H,13,14)
InChIKeyGOYJRQSLWYTHEI-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.75
Rot. Bonds2

About 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid

2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid (PubChem CID 90672089) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid
PubChem CID90672089
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncco2)cc1O
InChIInChI=1S/C10H7NO4/c12-8-5-6(9-11-3-4-15-9)1-2-7(8)10(13)14/h1-5,12H,(H,13,14)
InChIKeyGOYJRQSLWYTHEI-UHFFFAOYSA-N
XLogP1.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid (CID 90672089) is 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid is O=C(O)c1ccc(-c2ncco2)cc1O.
What is the InChIKey of 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid?
The InChIKey is GOYJRQSLWYTHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8-5-6(9-11-3-4-15-9)1-2-7(8)10(13)14/h1-5,12H,(H,13,14).
What are the key properties of 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid?
2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid has a molecular weight of 205.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(1,3-oxazol-2-yl)benzoic acid is sourced from PubChem (CID 90672089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).