2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C14H10BrClN2O2S — CID 7706077

IUPAC2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC[C@@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2cccs2)o1
InChIInChI=1S/C14H10BrClN2O2S/c1-8(19-11-5-4-9(16)7-10(11)15)13-17-18-14(20-13)12-3-2-6-21-12/h2-8H,1H3/t8-/m1/s1
InChIKeyVYYOENWPCXYUNA-MRVPVSSYSA-N
MW385.67 g/mol
LogP5.35
Rot. Bonds4

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

2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 7706077) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID7706077
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC[C@@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2cccs2)o1
InChIInChI=1S/C14H10BrClN2O2S/c1-8(19-11-5-4-9(16)7-10(11)15)13-17-18-14(20-13)12-3-2-6-21-12/h2-8H,1H3/t8-/m1/s1
InChIKeyVYYOENWPCXYUNA-MRVPVSSYSA-N
XLogP5.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.67
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole
CID 7701319
2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7699859
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dichlorobenzoate
CID 7716323
(1S)-1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9001707
2-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 35526042
(1R)-1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9001715
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 5-chloro-2-nitrobenzoate
CID 18198894
(1R)-1-(4-chlorophenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9043981
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7697811
(1S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042506
2-[1-(2,4-dibromophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 24670728
(3-chlorophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9041858

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 7706077) is 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is C[C@@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is VYYOENWPCXYUNA-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-8(19-11-5-4-9(16)7-10(11)15)13-17-18-14(20-13)12-3-2-6-21-12/h2-8H,1H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 385.67 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 7706077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).