4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid

C10H5F2NO3 — CID 134209886

IUPAC4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2F)co1
InChIInChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15)
InChIKeySQVSEIDBTNTABN-UHFFFAOYSA-N
MW225.15 g/mol
LogP2.32
Rot. Bonds2

About 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid

4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 134209886) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID134209886
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2F)co1
InChIInChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15)
InChIKeySQVSEIDBTNTABN-UHFFFAOYSA-N
XLogP2.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid (CID 134209886) is 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(-c2ccc(F)cc2F)co1.
What is the InChIKey of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is SQVSEIDBTNTABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15).
What are the key properties of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 225.15 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 134209886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).