2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole

C10H9BrN2O — CID 26967004

IUPAC2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C10H9BrN2O/c1-2-9-12-13-10(14-9)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3
InChIKeySWAUFAYIAMQUMJ-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.06
Rot. Bonds2

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

2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 26967004) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole
PubChem CID26967004
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C10H9BrN2O/c1-2-9-12-13-10(14-9)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3
InChIKeySWAUFAYIAMQUMJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole (CID 26967004) is 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is SWAUFAYIAMQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-2-9-12-13-10(14-9)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 253.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 26967004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).