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

C10H4BrCl2NO3 — CID 130311618

IUPAC5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2c(Cl)cccc2Cl)noc1Br
InChIInChI=1S/C10H4BrCl2NO3/c11-9-7(10(15)16)8(14-17-9)6-4(12)2-1-3-5(6)13/h1-3H,(H,15,16)
InChIKeyUPPWTCDRCNRBAM-UHFFFAOYSA-N
MW336.96 g/mol
LogP4.11
Rot. Bonds2

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

5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 130311618) has the molecular formula C10H4BrCl2NO3 and a molecular weight of 336.96 g/mol. Its IUPAC name is 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID130311618
Molecular FormulaC10H4BrCl2NO3
Molecular Weight336.96 g/mol
Exact Mass334.88
IUPAC Name5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2c(Cl)cccc2Cl)noc1Br
InChIInChI=1S/C10H4BrCl2NO3/c11-9-7(10(15)16)8(14-17-9)6-4(12)2-1-3-5(6)13/h1-3H,(H,15,16)
InChIKeyUPPWTCDRCNRBAM-UHFFFAOYSA-N
XLogP4.11
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.96
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 131867562
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
3-(2,6-dichlorophenyl)-5-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid
CID 130307099
2-bromo-1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 3251399
1-bromonaphthalene-2-carboxylic acid;2-chlorobenzoic acid;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 174425702
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129
dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
CID 2726491
3-[2-chloro-6-(trifluoromethyl)phenyl]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 155491026
N-(azepan-1-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2726141
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 22176607
N-[(2-bromophenyl)methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 46232351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid (CID 130311618) is 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2c(Cl)cccc2Cl)noc1Br.
What is the InChIKey of 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is UPPWTCDRCNRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2NO3/c11-9-7(10(15)16)8(14-17-9)6-4(12)2-1-3-5(6)13/h1-3H,(H,15,16).
What are the key properties of 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid?
5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 336.96 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 130311618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).