2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole

C14H9BrN6O2S — CID 9354991

IUPAC2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)s1
InChIInChI=1S/C14H9BrN6O2S/c15-12-5-4-11(24-12)14-18-17-13(23-14)7-22-10-3-1-2-9(6-10)21-8-16-19-20-21/h1-6,8H,7H2
InChIKeyILXHIJMXVWQRMI-UHFFFAOYSA-N
MW405.24 g/mol
LogP3.12
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole

2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole (PubChem CID 9354991) has the molecular formula C14H9BrN6O2S and a molecular weight of 405.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
PubChem CID9354991
Molecular FormulaC14H9BrN6O2S
Molecular Weight405.24 g/mol
Exact Mass403.97
IUPAC Name2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)s1
InChIInChI=1S/C14H9BrN6O2S/c15-12-5-4-11(24-12)14-18-17-13(23-14)7-22-10-3-1-2-9(6-10)21-8-16-19-20-21/h1-6,8H,7H2
InChIKeyILXHIJMXVWQRMI-UHFFFAOYSA-N
XLogP3.12
TPSA91.75 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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanamine
CID 106484810
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
N-[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
CID 9353822
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
CID 52891595
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
CID 71868810
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
CID 26050435
2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
4-[[3-(tetrazol-1-yl)phenoxy]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 7768759
2-(3-bromophenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 18080462

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole (CID 9354991) is 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole is Brc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The InChIKey is ILXHIJMXVWQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN6O2S/c15-12-5-4-11(24-12)14-18-17-13(23-14)7-22-10-3-1-2-9(6-10)21-8-16-19-20-21/h1-6,8H,7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole has a molecular weight of 405.24 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9354991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).