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

C11H7F2NO4 — CID 117390409

IUPAC5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(F)cc(-c2cc(C(=O)O)no2)cc1F
InChIInChI=1S/C11H7F2NO4/c1-17-10-6(12)2-5(3-7(10)13)9-4-8(11(15)16)14-18-9/h2-4H,1H3,(H,15,16)
InChIKeyVOWVLCBOCVEWCN-UHFFFAOYSA-N
MW255.18 g/mol
LogP2.33
Rot. Bonds3

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

5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117390409) has the molecular formula C11H7F2NO4 and a molecular weight of 255.18 g/mol. Its IUPAC name is 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117390409
Molecular FormulaC11H7F2NO4
Molecular Weight255.18 g/mol
Exact Mass255.03
IUPAC Name5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(F)cc(-c2cc(C(=O)O)no2)cc1F
InChIInChI=1S/C11H7F2NO4/c1-17-10-6(12)2-5(3-7(10)13)9-4-8(11(15)16)14-18-9/h2-4H,1H3,(H,15,16)
InChIKeyVOWVLCBOCVEWCN-UHFFFAOYSA-N
XLogP2.33
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117385107
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(3-carboxy-5-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117416540
5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467331
5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid
CID 117430484
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467926
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431806
5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485824
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117416543
5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117369791
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117390409) is 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1c(F)cc(-c2cc(C(=O)O)no2)cc1F.
What is the InChIKey of 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is VOWVLCBOCVEWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO4/c1-17-10-6(12)2-5(3-7(10)13)9-4-8(11(15)16)14-18-9/h2-4H,1H3,(H,15,16).
What are the key properties of 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 255.18 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117390409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).