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

C9H7BrN2OS — CID 82488242

IUPAC2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C9H7BrN2OS/c1-14-9-12-11-8(13-9)6-3-2-4-7(10)5-6/h2-5H,1H3
InChIKeyZUUILYRCZRQASP-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.22
Rot. Bonds2

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

2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 82488242) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID82488242
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C9H7BrN2OS/c1-14-9-12-11-8(13-9)6-3-2-4-7(10)5-6/h2-5H,1H3
InChIKeyZUUILYRCZRQASP-UHFFFAOYSA-N
XLogP3.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7594847
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
CID 163815297
CID 163815297
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3503612
2-[3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethanamine
CID 96663966
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 18281191
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7594806
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
1-bromo-3-(3-methylsulfanylphenyl)benzene
CID 15661513
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cycloheptan-1-one
CID 42945292
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7522613
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7594821

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole (CID 82488242) is 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole is CSc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is ZUUILYRCZRQASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-14-9-12-11-8(13-9)6-3-2-4-7(10)5-6/h2-5H,1H3.
What are the key properties of 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 271.14 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 82488242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).