5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid

C10H3ClF3NO3 — CID 117445060

IUPAC5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)c(F)cc(Cl)c2F)on1
InChIInChI=1S/C10H3ClF3NO3/c11-3-1-4(12)9(14)7(8(3)13)6-2-5(10(16)17)15-18-6/h1-2H,(H,16,17)
InChIKeyGXLNNMNDGDOKKL-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.11
Rot. Bonds2

About 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid

5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117445060) has the molecular formula C10H3ClF3NO3 and a molecular weight of 277.59 g/mol. Its IUPAC name is 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117445060
Molecular FormulaC10H3ClF3NO3
Molecular Weight277.59 g/mol
Exact Mass276.98
IUPAC Name5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)c(F)cc(Cl)c2F)on1
InChIInChI=1S/C10H3ClF3NO3/c11-3-1-4(12)9(14)7(8(3)13)6-2-5(10(16)17)15-18-6/h1-2H,(H,16,17)
InChIKeyGXLNNMNDGDOKKL-UHFFFAOYSA-N
XLogP3.11
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840
5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991116
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467926
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136995079
5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485824
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid (CID 117445060) is 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2c(F)c(F)cc(Cl)c2F)on1.
What is the InChIKey of 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is GXLNNMNDGDOKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF3NO3/c11-3-1-4(12)9(14)7(8(3)13)6-2-5(10(16)17)15-18-6/h1-2H,(H,16,17).
What are the key properties of 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 277.59 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117445060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).