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

C10H5ClFNO3 — CID 82387243

IUPAC3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)noc1-c1cccc(F)c1
InChIInChI=1S/C10H5ClFNO3/c11-9-7(10(14)15)8(16-13-9)5-2-1-3-6(12)4-5/h1-4H,(H,14,15)
InChIKeyPDHJPKHBMXSRSA-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.83
Rot. Bonds2

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

3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82387243) has the molecular formula C10H5ClFNO3 and a molecular weight of 241.60 g/mol. Its IUPAC name is 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID82387243
Molecular FormulaC10H5ClFNO3
Molecular Weight241.60 g/mol
Exact Mass240.99
IUPAC Name3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)noc1-c1cccc(F)c1
InChIInChI=1S/C10H5ClFNO3/c11-9-7(10(14)15)8(16-13-9)5-2-1-3-6(12)4-5/h1-4H,(H,14,15)
InChIKeyPDHJPKHBMXSRSA-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-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 105422177
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83912649
5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 70981008
3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid
CID 117127520
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid
CID 20848771
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
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
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
5-(3,4-difluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82477044
N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097068
N-(2-benzylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097230

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid (CID 82387243) is 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(Cl)noc1-c1cccc(F)c1.
What is the InChIKey of 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is PDHJPKHBMXSRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO3/c11-9-7(10(14)15)8(16-13-9)5-2-1-3-6(12)4-5/h1-4H,(H,14,15).
What are the key properties of 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-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 3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82387243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).