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

C11H7ClFNO4 — CID 117431806

IUPAC5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(Cl)cc(F)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H7ClFNO4/c1-17-10-6(2-5(13)3-7(10)12)9-4-8(11(15)16)14-18-9/h2-4H,1H3,(H,15,16)
InChIKeyFJHWJOPHEYGLNC-UHFFFAOYSA-N
MW271.63 g/mol
LogP2.84
Rot. Bonds3

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

5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117431806) has the molecular formula C11H7ClFNO4 and a molecular weight of 271.63 g/mol. Its IUPAC name is 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117431806
Molecular FormulaC11H7ClFNO4
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(Cl)cc(F)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H7ClFNO4/c1-17-10-6(2-5(13)3-7(10)12)9-4-8(11(15)16)14-18-9/h2-4H,1H3,(H,15,16)
InChIKeyFJHWJOPHEYGLNC-UHFFFAOYSA-N
XLogP2.84
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485824
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467926
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(5-bromo-2-methoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496634
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117431806) is 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1c(Cl)cc(F)cc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is FJHWJOPHEYGLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO4/c1-17-10-6(2-5(13)3-7(10)12)9-4-8(11(15)16)14-18-9/h2-4H,1H3,(H,15,16).
What are the key properties of 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.63 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117431806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).