2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid

C11H8BrNO3 — CID 105423960

IUPAC2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1oncc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO3/c12-8-3-1-2-7(4-8)9-6-13-16-10(9)5-11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyBETVPYBBDKZOBV-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid

2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid (PubChem CID 105423960) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
PubChem CID105423960
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1oncc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO3/c12-8-3-1-2-7(4-8)9-6-13-16-10(9)5-11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyBETVPYBBDKZOBV-UHFFFAOYSA-N
XLogP2.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone
CID 105423846
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423523
2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
CID 82307329
2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423586
2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
CID 82378249
3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929
5-[(3-bromophenoxy)methyl]-1,2-oxazole-4-carboxylic acid
CID 117217446
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
CID 165346016
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
5-bromo-4-(3-fluorophenyl)-1,2-oxazole
CID 84703029
4-(3-bromophenyl)-3-ethylpyridine
CID 118884339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid (CID 105423960) is 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid is O=C(O)Cc1oncc1-c1cccc(Br)c1.
What is the InChIKey of 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid?
The InChIKey is BETVPYBBDKZOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-8-3-1-2-7(4-8)9-6-13-16-10(9)5-11(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid?
2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid has a molecular weight of 282.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 105423960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).