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

C10H4ClF2NO4 — CID 136931933

IUPAC3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c(O)c(F)c2F)no1
InChIInChI=1S/C10H4ClF2NO4/c11-4-1-3(7(12)8(13)9(4)15)5-2-6(10(16)17)18-14-5/h1-2,15H,(H,16,17)
InChIKeyDYVJBUQSOKJGMB-UHFFFAOYSA-N
MW275.59 g/mol
LogP2.68
Rot. Bonds2

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

3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136931933) has the molecular formula C10H4ClF2NO4 and a molecular weight of 275.59 g/mol. Its IUPAC name is 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID136931933
Molecular FormulaC10H4ClF2NO4
Molecular Weight275.59 g/mol
Exact Mass274.98
IUPAC Name3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c(O)c(F)c2F)no1
InChIInChI=1S/C10H4ClF2NO4/c11-4-1-3(7(12)8(13)9(4)15)5-2-6(10(16)17)18-14-5/h1-2,15H,(H,16,17)
InChIKeyDYVJBUQSOKJGMB-UHFFFAOYSA-N
XLogP2.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.59
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991111
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136932487
3-(2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117345979
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 136928620
3-(2,3,5-trifluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136963362
3-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid
CID 117498874
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479241
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 136931933) is 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)c(O)c(F)c2F)no1.
What is the InChIKey of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is DYVJBUQSOKJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF2NO4/c11-4-1-3(7(12)8(13)9(4)15)5-2-6(10(16)17)18-14-5/h1-2,15H,(H,16,17).
What are the key properties of 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 275.59 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136931933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).