2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole

C11H10BrFN2O2 — CID 28782471

IUPAC2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(F)cc2Br)o1
InChIInChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-9-4-3-7(13)5-8(9)12/h3-5H,2,6H2,1H3
InChIKeyIVNVJBZTLOGMOY-UHFFFAOYSA-N
MW301.12 g/mol
LogP3.11
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole

2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 28782471) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID28782471
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(F)cc2Br)o1
InChIInChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-9-4-3-7(13)5-8(9)12/h3-5H,2,6H2,1H3
InChIKeyIVNVJBZTLOGMOY-UHFFFAOYSA-N
XLogP3.11
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (CID 28782471) is 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(COc2ccc(F)cc2Br)o1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is IVNVJBZTLOGMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-9-4-3-7(13)5-8(9)12/h3-5H,2,6H2,1H3.
What are the key properties of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 301.12 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 28782471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).