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

C12H10BrF3N2O3 — CID 102674590

IUPAC5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(COc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C12H10BrF3N2O3/c1-2-10-17-11(21-18-10)6-19-7-3-4-9(8(13)5-7)20-12(14,15)16/h3-5H,2,6H2,1H3
InChIKeyGVCINMPUCBUKMS-UHFFFAOYSA-N
MW367.12 g/mol
LogP3.87
Rot. Bonds5

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

5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 102674590) has the molecular formula C12H10BrF3N2O3 and a molecular weight of 367.12 g/mol. Its IUPAC name is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID102674590
Molecular FormulaC12H10BrF3N2O3
Molecular Weight367.12 g/mol
Exact Mass365.98
IUPAC Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(COc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C12H10BrF3N2O3/c1-2-10-17-11(21-18-10)6-19-7-3-4-9(8(13)5-7)20-12(14,15)16/h3-5H,2,6H2,1H3
InChIKeyGVCINMPUCBUKMS-UHFFFAOYSA-N
XLogP3.87
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.12
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-5-ethyl-1,2,4-oxadiazole
CID 102674600
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
CID 102714697
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127
(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718366
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716111
N-[[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63046381
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60878906

Frequently Asked Questions

What is the IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole (CID 102674590) is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(COc2ccc(OC(F)(F)F)c(Br)c2)n1.
What is the InChIKey of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is GVCINMPUCBUKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O3/c1-2-10-17-11(21-18-10)6-19-7-3-4-9(8(13)5-7)20-12(14,15)16/h3-5H,2,6H2,1H3.
What are the key properties of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole?
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 367.12 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 102674590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).