3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid

C10H5ClFNO4 — CID 136991111

IUPAC3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)c(Cl)c2F)no1
InChIInChI=1S/C10H5ClFNO4/c11-8-6(14)2-1-4(9(8)12)5-3-7(10(15)16)17-13-5/h1-3,14H,(H,15,16)
InChIKeyKYBDWZIWYFIMQW-UHFFFAOYSA-N
MW257.60 g/mol
LogP2.54
Rot. Bonds2

About 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136991111) has the molecular formula C10H5ClFNO4 and a molecular weight of 257.60 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID136991111
Molecular FormulaC10H5ClFNO4
Molecular Weight257.60 g/mol
Exact Mass256.99
IUPAC Name3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)c(Cl)c2F)no1
InChIInChI=1S/C10H5ClFNO4/c11-8-6(14)2-1-4(9(8)12)5-3-7(10(15)16)17-13-5/h1-3,14H,(H,15,16)
InChIKeyKYBDWZIWYFIMQW-UHFFFAOYSA-N
XLogP2.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.60
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931933
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991106
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117345979
3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931124
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136932487
3-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid
CID 117498874
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 115112665
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 136991111) is 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(O)c(Cl)c2F)no1.
What is the InChIKey of 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KYBDWZIWYFIMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO4/c11-8-6(14)2-1-4(9(8)12)5-3-7(10(15)16)17-13-5/h1-3,14H,(H,15,16).
What are the key properties of 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 257.60 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136991111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).