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

C17H14BrFN2O3 — CID 30823965

IUPAC5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(COc3ccc(Br)cc3F)n2)cc1
InChIInChI=1S/C17H14BrFN2O3/c1-2-22-13-6-3-11(4-7-13)17-20-16(24-21-17)10-23-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3
InChIKeyMXDXTCVMZTUQBA-UHFFFAOYSA-N
MW393.21 g/mol
LogP4.62
Rot. Bonds6

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

5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 30823965) has the molecular formula C17H14BrFN2O3 and a molecular weight of 393.21 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
PubChem CID30823965
Molecular FormulaC17H14BrFN2O3
Molecular Weight393.21 g/mol
Exact Mass392.02
IUPAC Name5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(COc3ccc(Br)cc3F)n2)cc1
InChIInChI=1S/C17H14BrFN2O3/c1-2-22-13-6-3-11(4-7-13)17-20-16(24-21-17)10-23-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3
InChIKeyMXDXTCVMZTUQBA-UHFFFAOYSA-N
XLogP4.62
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595326
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-(4-bromophenyl)-1,2,4-oxadiazole
CID 4038085
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 42851412
5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78803004
5-[(2,5-difluorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 86890089
5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 987928
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 55510174
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-bromo-2-fluorobenzoate
CID 9388074
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 63746874

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (CID 30823965) is 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2noc(COc3ccc(Br)cc3F)n2)cc1.
What is the InChIKey of 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is MXDXTCVMZTUQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O3/c1-2-22-13-6-3-11(4-7-13)17-20-16(24-21-17)10-23-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3.
What are the key properties of 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole?
5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 393.21 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 30823965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).