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

C11H11BrN2O2 — CID 28782458

IUPAC5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(COc2ccccc2Br)n1
InChIInChI=1S/C11H11BrN2O2/c1-2-10-13-11(16-14-10)7-15-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3
InChIKeyPXWNYTQPJLZXLS-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.97
Rot. Bonds4

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

5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 28782458) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID28782458
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(COc2ccccc2Br)n1
InChIInChI=1S/C11H11BrN2O2/c1-2-10-13-11(16-14-10)7-15-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3
InChIKeyPXWNYTQPJLZXLS-UHFFFAOYSA-N
XLogP2.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005
N-[[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63046381
N-[[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63058170
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948548
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole
CID 102674590
5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18775782
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061
1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60908429
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole (CID 28782458) is 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(COc2ccccc2Br)n1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is PXWNYTQPJLZXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-10-13-11(16-14-10)7-15-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3.
What are the key properties of 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole?
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 283.12 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 28782458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).