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

C10H7BrN2O3 — CID 24878719

IUPAC2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15)
InChIKeyTUKOCDSLLJGORV-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.13
Rot. Bonds3

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

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 24878719) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID24878719
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15)
InChIKeyTUKOCDSLLJGORV-UHFFFAOYSA-N
XLogP2.13
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenyl-1,2,4-oxadiazole-5-acetic acid
CID 7017713
3-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 13306119
3-(4-Bromophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 12097141
2-[3-[(4-Bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878777
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic Acid
CID 1472625
(3-p-Tolyl-[1,2,4]oxadiazol-5-yl)-acetic acid
CID 21494400
3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole
CID 8895139
2-[3-(4-Bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878664
2-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878718
2-[3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878720
2-[3-[(4-Bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878776
3-(4-Bromophenyl)-5-(3-bromopropyl)-1,2,4-oxadiazole
CID 137639610

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 24878719) is 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is TUKOCDSLLJGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15).
What are the key properties of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 283.08 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 24878719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).