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

C10H5ClFNO3 — CID 83912649

IUPAC4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C10H5ClFNO3/c11-7-8(10(14)15)13-16-9(7)5-2-1-3-6(12)4-5/h1-4H,(H,14,15)
InChIKeyOMOFZMAUFOWXDE-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.83
Rot. Bonds2

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

4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 83912649) has the molecular formula C10H5ClFNO3 and a molecular weight of 241.60 g/mol. Its IUPAC name is 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID83912649
Molecular FormulaC10H5ClFNO3
Molecular Weight241.60 g/mol
Exact Mass240.99
IUPAC Name4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C10H5ClFNO3/c11-7-8(10(14)15)13-16-9(7)5-2-1-3-6(12)4-5/h1-4H,(H,14,15)
InChIKeyOMOFZMAUFOWXDE-UHFFFAOYSA-N
XLogP2.83
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 67121077
5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 58374126
3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 70981008
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
N-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-fluorobenzamide
CID 22433849
5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 75359372
5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 115059786
4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 141290012
4-(3-fluorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 154345358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid (CID 83912649) is 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1noc(-c2cccc(F)c2)c1Cl.
What is the InChIKey of 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is OMOFZMAUFOWXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO3/c11-7-8(10(14)15)13-16-9(7)5-2-1-3-6(12)4-5/h1-4H,(H,14,15).
What are the key properties of 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid?
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 241.60 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83912649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).