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

C15H11BrN2O — CID 677885

IUPAC2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C15H11BrN2O/c16-13-8-6-12(7-9-13)15-18-17-14(19-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyJFBSIECKBRXIKV-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.09
Rot. Bonds3

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

2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole (PubChem CID 677885) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole
PubChem CID677885
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C15H11BrN2O/c16-13-8-6-12(7-9-13)15-18-17-14(19-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyJFBSIECKBRXIKV-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole (CID 677885) is 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole is Brc1ccc(-c2nnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole?
The InChIKey is JFBSIECKBRXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-13-8-6-12(7-9-13)15-18-17-14(19-15)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole?
2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole has a molecular weight of 315.17 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 677885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).