2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

C11H5Cl2F2NO3 — CID 103198901

IUPAC2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2c(Cl)cccc2Cl)nc1C(F)F
InChIInChI=1S/C11H5Cl2F2NO3/c12-4-2-1-3-5(13)6(4)10-16-7(9(14)15)8(19-10)11(17)18/h1-3,9H,(H,17,18)
InChIKeySFFCGXAZLLEYAT-UHFFFAOYSA-N
MW308.07 g/mol
LogP4.28
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103198901) has the molecular formula C11H5Cl2F2NO3 and a molecular weight of 308.07 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103198901
Molecular FormulaC11H5Cl2F2NO3
Molecular Weight308.07 g/mol
Exact Mass306.96
IUPAC Name2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2c(Cl)cccc2Cl)nc1C(F)F
InChIInChI=1S/C11H5Cl2F2NO3/c12-4-2-1-3-5(13)6(4)10-16-7(9(14)15)8(19-10)11(17)18/h1-3,9H,(H,17,18)
InChIKeySFFCGXAZLLEYAT-UHFFFAOYSA-N
XLogP4.28
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198841
4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylic acid
CID 114372736
4-(difluoromethyl)-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 103198972
2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953761
2-(3-bromo-2-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107953427
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373683
2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198975
4-(difluoromethyl)-2-(2-methyl-3-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 103198835
4-(difluoromethyl)-2-(4-methylsulfonylphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198970
ethyl 2-(2,3-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199087
4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198883

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103198901) is 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2c(Cl)cccc2Cl)nc1C(F)F.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is SFFCGXAZLLEYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F2NO3/c12-4-2-1-3-5(13)6(4)10-16-7(9(14)15)8(19-10)11(17)18/h1-3,9H,(H,17,18).
What are the key properties of 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 308.07 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103198901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).