5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole

C18H17FN2O3 — CID 159007615

IUPAC5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccccc3)no2)ccc1OCC[18F]
InChIInChI=1S/C18H17FN2O3/c1-2-22-16-12-14(8-9-15(16)23-11-10-19)18-20-17(21-24-18)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/i19-1
InChIKeyRFEWPVMGZIECFZ-AWDFDDCISA-N
MW327.35 g/mol
LogP4.15
Rot. Bonds7

About 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole

5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 159007615) has the molecular formula C18H17FN2O3 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID159007615
Molecular FormulaC18H17FN2O3
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccccc3)no2)ccc1OCC[18F]
InChIInChI=1S/C18H17FN2O3/c1-2-22-16-12-14(8-9-15(16)23-11-10-19)18-20-17(21-24-18)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/i19-1
InChIKeyRFEWPVMGZIECFZ-AWDFDDCISA-N
XLogP4.15
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole
CID 25110373
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
CID 25110365
1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N'-ethyl-N-methylmethanediamine
CID 143910298
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine
CID 143910304
3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
2-[4-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010359
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 159007615) is 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole is CCOc1cc(-c2nc(-c3ccccc3)no2)ccc1OCC[18F].
What is the InChIKey of 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is RFEWPVMGZIECFZ-AWDFDDCISA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-2-22-16-12-14(8-9-15(16)23-11-10-19)18-20-17(21-24-18)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/i19-1.
What are the key properties of 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 327.35 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 159007615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).