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

C10H7Cl2NO3 — CID 57217377

IUPAC3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(Cl)c(Cl)c2)NO1
InChIInChI=1S/C10H7Cl2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15)
InChIKeyZPKCJEBWKJQBQE-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.32
Rot. Bonds2

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

3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 57217377) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID57217377
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(Cl)c(Cl)c2)NO1
InChIInChI=1S/C10H7Cl2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15)
InChIKeyZPKCJEBWKJQBQE-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022113
3-(3-Chloro-2-fluorophenyl)-2,5-dihydroisoxazole-5-carboxylic acid
CID 155895362
2-[(3,4-Dichlorophenyl)methylamino]oxyacetic acid
CID 23499557
3-(3,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56978868
3-(2-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56993941
Methyl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57004507
3-(2,3-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022269
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
3-(3-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57049497
3-(2,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57061200
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetic acid
CID 57101882
3-(2,6-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57121693

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 57217377) is 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2ccc(Cl)c(Cl)c2)NO1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZPKCJEBWKJQBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15).
What are the key properties of 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 260.08 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 57217377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).