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

C14H9BrN6O2S — CID 112781180

IUPAC2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CSc3nnnn3-c3ccccc3)o2)o1
InChIInChI=1S/C14H9BrN6O2S/c15-11-7-6-10(22-11)13-17-16-12(23-13)8-24-14-18-19-20-21(14)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHLPGMLLCQOBYCO-UHFFFAOYSA-N
MW405.24 g/mol
LogP3.36
Rot. Bonds5

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

2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 112781180) has the molecular formula C14H9BrN6O2S and a molecular weight of 405.24 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID112781180
Molecular FormulaC14H9BrN6O2S
Molecular Weight405.24 g/mol
Exact Mass403.97
IUPAC Name2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CSc3nnnn3-c3ccccc3)o2)o1
InChIInChI=1S/C14H9BrN6O2S/c15-11-7-6-10(22-11)13-17-16-12(23-13)8-24-14-18-19-20-21(14)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHLPGMLLCQOBYCO-UHFFFAOYSA-N
XLogP3.36
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(5-bromofuran-2-yl)-5-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112779990
2-(4-bromophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16535773
2-(5-bromofuran-2-yl)-5-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 30037136
[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630710
5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
CID 42069312
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27059231
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 17446430
4-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 91144824
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
2-(5-bromofuran-2-yl)-5-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29324730

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 112781180) is 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole is Brc1ccc(-c2nnc(CSc3nnnn3-c3ccccc3)o2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is HLPGMLLCQOBYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN6O2S/c15-11-7-6-10(22-11)13-17-16-12(23-13)8-24-14-18-19-20-21(14)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 405.24 g/mol, XLogP of 3.36, 5 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-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 112781180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).