3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole

C16H12BrClN2O2 — CID 1313859

IUPAC3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C16H12BrClN2O2/c1-10(21-14-4-2-3-13(18)9-14)16-19-15(20-22-16)11-5-7-12(17)8-6-11/h2-10H,1H3/t10-/m1/s1
InChIKeyGIKLYGRTIRAQIN-SNVBAGLBSA-N
MW379.64 g/mol
LogP5.29
Rot. Bonds4

About 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole

3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 1313859) has the molecular formula C16H12BrClN2O2 and a molecular weight of 379.64 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
PubChem CID1313859
Molecular FormulaC16H12BrClN2O2
Molecular Weight379.64 g/mol
Exact Mass377.98
IUPAC Name3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C16H12BrClN2O2/c1-10(21-14-4-2-3-13(18)9-14)16-19-15(20-22-16)11-5-7-12(17)8-6-11/h2-10H,1H3/t10-/m1/s1
InChIKeyGIKLYGRTIRAQIN-SNVBAGLBSA-N
XLogP5.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.64
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-(4-bromophenoxy)ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1294361
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 112571524
5-[(1R)-1-(3-chlorophenoxy)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 895311
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807
2-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62228931
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
6-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-3-propyl-1H-benzimidazol-2-one
CID 53041999

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole (CID 1313859) is 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole is C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is GIKLYGRTIRAQIN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12BrClN2O2/c1-10(21-14-4-2-3-13(18)9-14)16-19-15(20-22-16)11-5-7-12(17)8-6-11/h2-10H,1H3/t10-/m1/s1.
What are the key properties of 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 379.64 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 1313859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).