2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid

C16H10BrClN2O4 — CID 11575105

IUPAC2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Br)cc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H10BrClN2O4/c17-10-3-6-13(23-8-14(21)22)12(7-10)16-19-15(20-24-16)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,21,22)
InChIKeyZVAVUDKJOCDNFX-UHFFFAOYSA-N
MW409.62 g/mol
LogP4.28
Rot. Bonds5

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

2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid (PubChem CID 11575105) has the molecular formula C16H10BrClN2O4 and a molecular weight of 409.62 g/mol. Its IUPAC name is 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
PubChem CID11575105
Molecular FormulaC16H10BrClN2O4
Molecular Weight409.62 g/mol
Exact Mass407.95
IUPAC Name2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Br)cc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H10BrClN2O4/c17-10-3-6-13(23-8-14(21)22)12(7-10)16-19-15(20-24-16)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,21,22)
InChIKeyZVAVUDKJOCDNFX-UHFFFAOYSA-N
XLogP4.28
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(5-bromo-2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propan-1-one
CID 167946886
CID 88937378
CID 88937378
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
2-[4-[5-(5-chloro-6-prop-2-ynoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid
CID 59495690
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
2-[4-(6-bromo-1,2-benzoxazol-3-yl)-2,3-dichlorophenoxy]acetic acid
CID 20533977
5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595326
2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 154811264
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
2-[4-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010359
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid (CID 11575105) is 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid is O=C(O)COc1ccc(Br)cc1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The InChIKey is ZVAVUDKJOCDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O4/c17-10-3-6-13(23-8-14(21)22)12(7-10)16-19-15(20-24-16)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,21,22).
What are the key properties of 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid has a molecular weight of 409.62 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 11575105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).