3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid

C10H7NO4 — CID 136998648

IUPAC3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C10H7NO4/c12-8-4-2-1-3-6(8)7-5-9(10(13)14)15-11-7/h1-5,12H,(H,13,14)
InChIKeyXEOXZOWTCSTQHM-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.75
Rot. Bonds2

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

3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136998648) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID136998648
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C10H7NO4/c12-8-4-2-1-3-6(8)7-5-9(10(13)14)15-11-7/h1-5,12H,(H,13,14)
InChIKeyXEOXZOWTCSTQHM-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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Related Compounds

3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931124
3-(1,2-benzoxazol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117331917
3-[2-hydroxy-3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 137017039
N-butan-2-yl-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
CID 135506185
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117395880
3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453435
3-[2-(4-methyltriazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117428609
3-isoquinolin-4-yl-1,2-oxazole-5-carboxylic acid
CID 104504438
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435286
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117435506

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 136998648) is 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccccc2O)no1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is XEOXZOWTCSTQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8-4-2-1-3-6(8)7-5-9(10(13)14)15-11-7/h1-5,12H,(H,13,14).
What are the key properties of 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic 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 3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136998648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).