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

C16H11BrN4O4S — CID 29324730

IUPAC2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(SCc2nnc(-c3ccc(Br)o3)o2)o1
InChIInChI=1S/C16H11BrN4O4S/c1-22-10-5-3-2-4-9(10)14-19-21-16(25-14)26-8-13-18-20-15(24-13)11-6-7-12(17)23-11/h2-7H,8H2,1H3
InChIKeyQEAMBYCLGNIIDL-UHFFFAOYSA-N
MW435.26 g/mol
LogP4.44
Rot. Bonds6

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

2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 29324730) has the molecular formula C16H11BrN4O4S and a molecular weight of 435.26 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID29324730
Molecular FormulaC16H11BrN4O4S
Molecular Weight435.26 g/mol
Exact Mass433.97
IUPAC Name2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(SCc2nnc(-c3ccc(Br)o3)o2)o1
InChIInChI=1S/C16H11BrN4O4S/c1-22-10-5-3-2-4-9(10)14-19-21-16(25-14)26-8-13-18-20-15(24-13)11-6-7-12(17)23-11/h2-7H,8H2,1H3
InChIKeyQEAMBYCLGNIIDL-UHFFFAOYSA-N
XLogP4.44
TPSA100.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630710
2-(2-methoxyphenyl)-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 33343001
2-(2-methoxyphenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42988977
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417
2-(3,4-dimethoxyphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656547
2-(4-chlorophenyl)-5-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 31759028
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9484090
2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 7683141
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3620914
2-(2-methoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 78765739

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 29324730) is 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is COc1ccccc1-c1nnc(SCc2nnc(-c3ccc(Br)o3)o2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is QEAMBYCLGNIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O4S/c1-22-10-5-3-2-4-9(10)14-19-21-16(25-14)26-8-13-18-20-15(24-13)11-6-7-12(17)23-11/h2-7H,8H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 435.26 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 29324730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).