3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid

C11H7F2NO3 — CID 115527352

IUPAC3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)F)c2)no1
InChIInChI=1S/C11H7F2NO3/c12-10(13)7-3-1-2-6(4-7)8-5-9(11(15)16)17-14-8/h1-5,10H,(H,15,16)
InChIKeyYCNGVNLQVIBELW-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.98
Rot. Bonds3

About 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 115527352) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID115527352
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)F)c2)no1
InChIInChI=1S/C11H7F2NO3/c12-10(13)7-3-1-2-6(4-7)8-5-9(11(15)16)17-14-8/h1-5,10H,(H,15,16)
InChIKeyYCNGVNLQVIBELW-UHFFFAOYSA-N
XLogP2.98
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 115527352) is 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc(C(F)F)c2)no1.
What is the InChIKey of 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is YCNGVNLQVIBELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c12-10(13)7-3-1-2-6(4-7)8-5-9(11(15)16)17-14-8/h1-5,10H,(H,15,16).
What are the key properties of 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 115527352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).