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

C10H8BrFN2O — CID 67893340

IUPAC3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole
SMILESFCc1nc(Cc2ccc(Br)cc2)no1
InChIInChI=1S/C10H8BrFN2O/c11-8-3-1-7(2-4-8)5-9-13-10(6-12)15-14-9/h1-4H,5-6H2
InChIKeyMOBNVHSOAASYHA-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.89
Rot. Bonds3

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

3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole (PubChem CID 67893340) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole
PubChem CID67893340
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole
SMILESFCc1nc(Cc2ccc(Br)cc2)no1
InChIInChI=1S/C10H8BrFN2O/c11-8-3-1-7(2-4-8)5-9-13-10(6-12)15-14-9/h1-4H,5-6H2
InChIKeyMOBNVHSOAASYHA-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole (CID 67893340) is 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole is FCc1nc(Cc2ccc(Br)cc2)no1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole?
The InChIKey is MOBNVHSOAASYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-8-3-1-7(2-4-8)5-9-13-10(6-12)15-14-9/h1-4H,5-6H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole?
3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole has a molecular weight of 271.09 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5-(fluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 67893340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).