2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

C19H15BrN4OS — CID 35586810

IUPAC2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1ccccc1-n1ccnc1SCc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C19H15BrN4OS/c1-13-4-2-3-5-16(13)24-11-10-21-19(24)26-12-17-22-23-18(25-17)14-6-8-15(20)9-7-14/h2-11H,12H2,1H3
InChIKeyVHBTYYXOPBSXSD-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.29
Rot. Bonds5

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

2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 35586810) has the molecular formula C19H15BrN4OS and a molecular weight of 427.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID35586810
Molecular FormulaC19H15BrN4OS
Molecular Weight427.33 g/mol
Exact Mass426.01
IUPAC Name2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1ccccc1-n1ccnc1SCc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C19H15BrN4OS/c1-13-4-2-3-5-16(13)24-11-10-21-19(24)26-12-17-22-23-18(25-17)14-6-8-15(20)9-7-14/h2-11H,12H2,1H3
InChIKeyVHBTYYXOPBSXSD-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 40669203
2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37174877
2-(4-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16541594
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
2-(4-methoxyphenyl)-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33011957
2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 30037146
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 24527625
2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 134010479
2-(4-bromophenyl)-5-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29351684
2-(4-bromophenyl)-5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16505698
1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
CID 134042088
4-[5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 27753396

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 35586810) is 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is Cc1ccccc1-n1ccnc1SCc1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is VHBTYYXOPBSXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4OS/c1-13-4-2-3-5-16(13)24-11-10-21-19(24)26-12-17-22-23-18(25-17)14-6-8-15(20)9-7-14/h2-11H,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 427.33 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 35586810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).