2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

C19H15BrN4OS — CID 24606080

IUPAC2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(Sc1nccn1-c1ccc(Br)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15BrN4OS/c1-13(17-22-23-18(25-17)14-5-3-2-4-6-14)26-19-21-11-12-24(19)16-9-7-15(20)8-10-16/h2-13H,1H3
InChIKeyPDFXXSVMHWAMPW-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.54
Rot. Bonds5

About 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 24606080) has the molecular formula C19H15BrN4OS and a molecular weight of 427.33 g/mol. Its IUPAC name is 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID24606080
Molecular FormulaC19H15BrN4OS
Molecular Weight427.33 g/mol
Exact Mass426.01
IUPAC Name2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(Sc1nccn1-c1ccc(Br)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15BrN4OS/c1-13(17-22-23-18(25-17)14-5-3-2-4-6-14)26-19-21-11-12-24(19)16-9-7-15(20)8-10-16/h2-13H,1H3
InChIKeyPDFXXSVMHWAMPW-UHFFFAOYSA-N
XLogP5.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43037199
5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
CID 25334654
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24579650
2-[(1S)-1-(4-bromophenyl)sulfanylethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 51923748
2-(4-methoxyphenyl)-5-[1-(1-methylimidazol-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 18201150
2-[(1R)-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630065
2-[(1R)-1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7629926
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
2-[1-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807673
3-(3-fluorophenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 8954429

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (CID 24606080) is 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is CC(Sc1nccn1-c1ccc(Br)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PDFXXSVMHWAMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4OS/c1-13(17-22-23-18(25-17)14-5-3-2-4-6-14)26-19-21-11-12-24(19)16-9-7-15(20)8-10-16/h2-13H,1H3.
What are the key properties of 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 427.33 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 24606080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).