4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

C12H10BrClN2O2S — CID 83200794

IUPAC4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C12H10BrClN2O2S/c13-8-3-6(1-2-9(8)14)11-15-12(18-16-11)7-4-19-5-10(7)17/h1-3,7,10,17H,4-5H2
InChIKeyHCLHZOIIALWTCX-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.34
Rot. Bonds2

About 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (PubChem CID 83200794) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.

Molecular Properties

Compound Name4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
PubChem CID83200794
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C12H10BrClN2O2S/c13-8-3-6(1-2-9(8)14)11-15-12(18-16-11)7-4-19-5-10(7)17/h1-3,7,10,17H,4-5H2
InChIKeyHCLHZOIIALWTCX-UHFFFAOYSA-N
XLogP3.34
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol 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

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201685
4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
CID 83191804
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201040
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201298
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 106850005
4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201543
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 115565470
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201148
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The IUPAC name of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (CID 83200794) is 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.
What is the SMILES notation for 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The canonical SMILES for 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is OC1CSCC1c1nc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The InChIKey is HCLHZOIIALWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c13-8-3-6(1-2-9(8)14)11-15-12(18-16-11)7-4-19-5-10(7)17/h1-3,7,10,17H,4-5H2.
What are the key properties of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol has a molecular weight of 361.65 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is sourced from PubChem (CID 83200794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).