3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole

C9H6BrFN2O — CID 58762310

IUPAC3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Br)cc2F)no1
InChIInChI=1S/C9H6BrFN2O/c1-5-12-9(13-14-5)7-3-2-6(10)4-8(7)11/h2-4H,1H3
InChIKeyNGTZOEWKSJTTNF-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.95
Rot. Bonds1

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

3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 58762310) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID58762310
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Br)cc2F)no1
InChIInChI=1S/C9H6BrFN2O/c1-5-12-9(13-14-5)7-3-2-6(10)4-8(7)11/h2-4H,1H3
InChIKeyNGTZOEWKSJTTNF-UHFFFAOYSA-N
XLogP2.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole (CID 58762310) is 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccc(Br)cc2F)no1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is NGTZOEWKSJTTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-5-12-9(13-14-5)7-3-2-6(10)4-8(7)11/h2-4H,1H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 257.06 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 58762310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).