5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole

C8H7BrN2OS — CID 130891325

IUPAC5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2csc(Br)c2)n1
InChIInChI=1S/C8H7BrN2OS/c1-2-7-10-8(12-11-7)5-3-6(9)13-4-5/h3-4H,2H2,1H3
InChIKeyLUWXFAKIVMSUNB-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.12
Rot. Bonds2

About 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole

5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 130891325) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole
PubChem CID130891325
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2csc(Br)c2)n1
InChIInChI=1S/C8H7BrN2OS/c1-2-7-10-8(12-11-7)5-3-6(9)13-4-5/h3-4H,2H2,1H3
InChIKeyLUWXFAKIVMSUNB-UHFFFAOYSA-N
XLogP3.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole
CID 130735503
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 107965425
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 114021757
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79683529
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864420
5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole
CID 118348740
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107965435

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole (CID 130891325) is 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(-c2csc(Br)c2)n1.
What is the InChIKey of 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is LUWXFAKIVMSUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c1-2-7-10-8(12-11-7)5-3-6(9)13-4-5/h3-4H,2H2,1H3.
What are the key properties of 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole?
5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 259.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 130891325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).