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

C12H9Cl2NO3 — CID 104842536

IUPAC2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cccc(Cl)c2Cl)oc1C(=O)O
InChIInChI=1S/C12H9Cl2NO3/c1-2-8-10(12(16)17)18-11(15-8)6-4-3-5-7(13)9(6)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyNGTDINGADPCOBZ-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.91
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (PubChem CID 104842536) has the molecular formula C12H9Cl2NO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
PubChem CID104842536
Molecular FormulaC12H9Cl2NO3
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cccc(Cl)c2Cl)oc1C(=O)O
InChIInChI=1S/C12H9Cl2NO3/c1-2-8-10(12(16)17)18-11(15-8)6-4-3-5-7(13)9(6)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyNGTDINGADPCOBZ-UHFFFAOYSA-N
XLogP3.91
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3-fluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459765
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459766
2-(2-bromo-3-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107984237
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842478
6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid
CID 175462958
ethyl 2-(2,3-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199087

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (CID 104842536) is 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2cccc(Cl)c2Cl)oc1C(=O)O.
What is the InChIKey of 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is NGTDINGADPCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3/c1-2-8-10(12(16)17)18-11(15-8)6-4-3-5-7(13)9(6)14/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 286.11 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).