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

C16H17BrN4OS — CID 25334654

IUPAC5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2nccn2-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H17BrN4OS/c1-3-4-14-19-15(22-20-14)11(2)23-16-18-9-10-21(16)13-7-5-12(17)6-8-13/h5-11H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyJDDIOSUZKAUJSQ-LLVKDONJSA-N
MW393.31 g/mol
LogP4.82
Rot. Bonds6

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

5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 25334654) has the molecular formula C16H17BrN4OS and a molecular weight of 393.31 g/mol. Its IUPAC name is 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID25334654
Molecular FormulaC16H17BrN4OS
Molecular Weight393.31 g/mol
Exact Mass392.03
IUPAC Name5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2nccn2-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H17BrN4OS/c1-3-4-14-19-15(22-20-14)11(2)23-16-18-9-10-21(16)13-7-5-12(17)6-8-13/h5-11H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyJDDIOSUZKAUJSQ-LLVKDONJSA-N
XLogP4.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-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-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 24606080
3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 134052377
6-bromo-3-propyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 55578353
6-bromo-3-(2-methylpropyl)-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 46567485
3-(4-methylphenyl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 46604393
5-[1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 46567660
5-[1-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 46567585
5-[1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 46567766
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
CID 24500840
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653
5-[(1S)-1-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 25337255
5-(1-bromopropyl)-3-propyl-1,2,4-oxadiazole
CID 62854731

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole (CID 25334654) is 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@@H](C)Sc2nccn2-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is JDDIOSUZKAUJSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrN4OS/c1-3-4-14-19-15(22-20-14)11(2)23-16-18-9-10-21(16)13-7-5-12(17)6-8-13/h5-11H,3-4H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 393.31 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 25334654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).