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

C11H11BrN2OS — CID 82490201

IUPAC2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(CCc2ccc(Br)cc2)o1
InChIInChI=1S/C11H11BrN2OS/c1-16-11-14-13-10(15-11)7-4-8-2-5-9(12)6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKeyQVEZRNSZRIUIJP-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.34
Rot. Bonds4

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

2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 82490201) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID82490201
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(CCc2ccc(Br)cc2)o1
InChIInChI=1S/C11H11BrN2OS/c1-16-11-14-13-10(15-11)7-4-8-2-5-9(12)6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKeyQVEZRNSZRIUIJP-UHFFFAOYSA-N
XLogP3.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-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

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butylazanium chloride
CID 44661017
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine;hydrochloride
CID 163331262
2-(3-chloropropyl)-5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole
CID 62505329
2-[2-(4-bromophenyl)ethyl]-1,3-oxazole
CID 82481392
2-[(3-bromophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
CID 28563619
2-[(4-bromophenyl)methylsulfanyl]-5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 126365502
2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660996
2-(4-bromophenyl)ethyl-fluoro-dimethylsilane
CID 23650279
3-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 9170743
3-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 9170759
5-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 60911711

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole (CID 82490201) is 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole is CSc1nnc(CCc2ccc(Br)cc2)o1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is QVEZRNSZRIUIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-16-11-14-13-10(15-11)7-4-8-2-5-9(12)6-3-8/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 299.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 82490201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).