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

C9H7BrN2O — CID 26966989

IUPAC2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChIKeyKFORTEWAPHTQIB-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.81
Rot. Bonds1

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

2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 26966989) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID26966989
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChIKeyKFORTEWAPHTQIB-UHFFFAOYSA-N
XLogP2.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.81
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-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole (CID 26966989) is 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is KFORTEWAPHTQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3.
What are the key properties of 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 239.07 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 26966989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).