5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid

C14H7Cl2NO3S — CID 29271509

IUPAC5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)oc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2NO3S/c15-8-4-7(5-9(16)6-8)12-11(14(18)19)17-13(20-12)10-2-1-3-21-10/h1-6H,(H,18,19)
InChIKeyJXDQPSXUEXZCCU-UHFFFAOYSA-N
MW340.19 g/mol
LogP5.08
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid

5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 29271509) has the molecular formula C14H7Cl2NO3S and a molecular weight of 340.19 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
PubChem CID29271509
Molecular FormulaC14H7Cl2NO3S
Molecular Weight340.19 g/mol
Exact Mass338.95
IUPAC Name5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)oc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2NO3S/c15-8-4-7(5-9(16)6-8)12-11(14(18)19)17-13(20-12)10-2-1-3-21-10/h1-6H,(H,18,19)
InChIKeyJXDQPSXUEXZCCU-UHFFFAOYSA-N
XLogP5.08
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.19
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-3-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81290019
5-(3,4-dimethylphenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 28547704
5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81454327
5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 66128674
5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 80644367
5-(1-methylsulfonylethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 104517925
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953780
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid (CID 29271509) is 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2cccs2)oc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is JXDQPSXUEXZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3S/c15-8-4-7(5-9(16)6-8)12-11(14(18)19)17-13(20-12)10-2-1-3-21-10/h1-6H,(H,18,19).
What are the key properties of 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 340.19 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 29271509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).