2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

C17H13BrN4O3S — CID 30037136

IUPAC2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1cccc(-n2ccnc2SCc2nnc(-c3ccc(Br)o3)o2)c1
InChIInChI=1S/C17H13BrN4O3S/c1-23-12-4-2-3-11(9-12)22-8-7-19-17(22)26-10-15-20-21-16(25-15)13-5-6-14(18)24-13/h2-9H,10H2,1H3
InChIKeyGVLPRARLLSHZOZ-UHFFFAOYSA-N
MW433.29 g/mol
LogP4.58
Rot. Bonds6

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

2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 30037136) has the molecular formula C17H13BrN4O3S and a molecular weight of 433.29 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID30037136
Molecular FormulaC17H13BrN4O3S
Molecular Weight433.29 g/mol
Exact Mass431.99
IUPAC Name2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1cccc(-n2ccnc2SCc2nnc(-c3ccc(Br)o3)o2)c1
InChIInChI=1S/C17H13BrN4O3S/c1-23-12-4-2-3-11(9-12)22-8-7-19-17(22)26-10-15-20-21-16(25-15)13-5-6-14(18)24-13/h2-9H,10H2,1H3
InChIKeyGVLPRARLLSHZOZ-UHFFFAOYSA-N
XLogP4.58
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-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

2-(4-methoxyphenyl)-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33011957
2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112781180
2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 17456633
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 24597534
2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37174877
2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole
CID 75388165
2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 26968857
2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 18139087
2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29324730
2-[(1-methylimidazol-2-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7364402
N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18277389
2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 35586810

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 30037136) is 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is COc1cccc(-n2ccnc2SCc2nnc(-c3ccc(Br)o3)o2)c1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is GVLPRARLLSHZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O3S/c1-23-12-4-2-3-11(9-12)22-8-7-19-17(22)26-10-15-20-21-16(25-15)13-5-6-14(18)24-13/h2-9H,10H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 433.29 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 30037136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).