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

C11H7Cl2NO3 — CID 82362315

IUPAC3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2ccc(Cl)cc2Cl)noc1C(=O)O
InChIInChI=1S/C11H7Cl2NO3/c1-5-9(14-17-10(5)11(15)16)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16)
InChIKeyITYBLYRSQMWDLX-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.66
Rot. Bonds2

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

3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 82362315) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID82362315
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Name3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2ccc(Cl)cc2Cl)noc1C(=O)O
InChIInChI=1S/C11H7Cl2NO3/c1-5-9(14-17-10(5)11(15)16)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16)
InChIKeyITYBLYRSQMWDLX-UHFFFAOYSA-N
XLogP3.66
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174558705
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743
5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
CID 82362316
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 126962398
4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 84700371
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxole-4-carboxylic acid
CID 141385266

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid (CID 82362315) is 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid is Cc1c(-c2ccc(Cl)cc2Cl)noc1C(=O)O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is ITYBLYRSQMWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3/c1-5-9(14-17-10(5)11(15)16)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16).
What are the key properties of 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 272.09 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82362315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).