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

C11H8BrNO3 — CID 82307329

IUPAC2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1conc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO3/c12-9-3-1-2-7(4-9)11-8(5-10(14)15)6-16-13-11/h1-4,6H,5H2,(H,14,15)
InChIKeyLTMLYWFIHIEZPQ-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.73
Rot. Bonds3

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

2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid (PubChem CID 82307329) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
PubChem CID82307329
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1conc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO3/c12-9-3-1-2-7(4-9)11-8(5-10(14)15)6-16-13-11/h1-4,6H,5H2,(H,14,15)
InChIKeyLTMLYWFIHIEZPQ-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

4-bromo-3-(3-bromophenyl)-1,2-oxazole
CID 14372258
2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid
CID 82295657
2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
CID 82378249
2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423960
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
CID 82304699
3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929
4-(fluoromethyl)-3-phenyl-1,2-oxazole
CID 141159129
2-[2-(3-bromophenyl)-1H-indol-3-yl]acetic acid
CID 3506906
4-bromo-3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
CID 45496321
4-(3-bromophenyl)thiadiazole-5-carboxylic acid
CID 65207487
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid (CID 82307329) is 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid is O=C(O)Cc1conc1-c1cccc(Br)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid?
The InChIKey is LTMLYWFIHIEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-9-3-1-2-7(4-9)11-8(5-10(14)15)6-16-13-11/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid?
2-[3-(3-bromophenyl)-1,2-oxazol-4-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-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82307329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).