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

C11H10BrFN2O2 — CID 83236085

IUPAC2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(F)c(Br)c2)o1
InChIInChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-7-3-4-9(13)8(12)5-7/h3-5H,2,6H2,1H3
InChIKeyYRIIHDSJAPZDEP-UHFFFAOYSA-N
MW301.12 g/mol
LogP3.11
Rot. Bonds4

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

2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 83236085) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID83236085
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(F)c(Br)c2)o1
InChIInChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-7-3-4-9(13)8(12)5-7/h3-5H,2,6H2,1H3
InChIKeyYRIIHDSJAPZDEP-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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Related Compounds

2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 163255292
5-[(3-bromo-4-fluorophenoxy)methyl]-3-ethyl-1-methylpyrazole
CID 83233382
3-[(3-bromo-4-fluorophenoxy)methyl]-4,5-dimethyl-1,2,4-triazole
CID 83236459
2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
CID 163255149
4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole
CID 163255013
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503683
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
CID 61269411
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
CID 28782339
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (CID 83236085) is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(COc2ccc(F)c(Br)c2)o1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is YRIIHDSJAPZDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-7-3-4-9(13)8(12)5-7/h3-5H,2,6H2,1H3.
What are the key properties of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(3-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-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 83236085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).