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

C10H9BrN2O — CID 71563561

IUPAC2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cc2ccc(Br)cc2)o1
InChIInChI=1S/C10H9BrN2O/c1-7-12-13-10(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyPOXQVPBEWMWUDF-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.73
Rot. Bonds2

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

2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 71563561) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID71563561
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cc2ccc(Br)cc2)o1
InChIInChI=1S/C10H9BrN2O/c1-7-12-13-10(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyPOXQVPBEWMWUDF-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole (CID 71563561) is 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cc2ccc(Br)cc2)o1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is POXQVPBEWMWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-7-12-13-10(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 253.10 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 71563561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).