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

C11H7BrFNO3 — CID 107953395

IUPAC2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(F)c(Br)c2)oc1C(=O)O
InChIInChI=1S/C11H7BrFNO3/c1-5-9(11(15)16)17-10(14-5)6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H,15,16)
InChIKeyYKVDLUYGHSLBTG-UHFFFAOYSA-N
MW300.08 g/mol
LogP3.25
Rot. Bonds2

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

2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 107953395) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID107953395
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Name2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(F)c(Br)c2)oc1C(=O)O
InChIInChI=1S/C11H7BrFNO3/c1-5-9(11(15)16)17-10(14-5)6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H,15,16)
InChIKeyYKVDLUYGHSLBTG-UHFFFAOYSA-N
XLogP3.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
2-(4-bromo-3-methylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198896
4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid
CID 118608534
2-(4-cyanophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 58610248
2-(3-bromo-4-fluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 82802424
2-(3-bromo-4-chlorophenyl)-4-tert-butyl-1,3-oxazole-5-carboxylic acid
CID 107995240
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561
ethyl 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81284241
5-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 62913159
2-[2-(3-bromo-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 82789431
2-(3-bromo-4-fluorophenyl)-5-methylpyrimidine-4-carboxylic acid
CID 114245006
4-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198823

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid (CID 107953395) is 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid is Cc1nc(-c2ccc(F)c(Br)c2)oc1C(=O)O.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YKVDLUYGHSLBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c1-5-9(11(15)16)17-10(14-5)6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H,15,16).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 300.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 107953395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).