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

C10H8BrNO3 — CID 57164117

IUPAC3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H8BrNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14)
InChIKeyUSHKQDMBQKAEPI-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.78
Rot. Bonds2

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

3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 57164117) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID57164117
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H8BrNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14)
InChIKeyUSHKQDMBQKAEPI-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91127610
[3-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 91355065
2-[1-(4-Bromophenyl)ethenylamino]oxyacetic acid
CID 1849698
5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56982022
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
Methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
CID 57210391
3-(2,4-Dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57250622

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 57164117) is 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is USHKQDMBQKAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14).
What are the key properties of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 270.08 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 57164117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).