3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole

C17H16FN3O — CID 139003897

IUPAC3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(C(F)Cc2ccccc2)n1
InChIInChI=1S/C17H16FN3O/c1-2-13-9-6-10-19-15(13)16-20-17(22-21-16)14(18)11-12-7-4-3-5-8-12/h3-10,14H,2,11H2,1H3
InChIKeyAFDHCFRNGWGHLN-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.95
Rot. Bonds5

About 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole

3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole (PubChem CID 139003897) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole
PubChem CID139003897
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(C(F)Cc2ccccc2)n1
InChIInChI=1S/C17H16FN3O/c1-2-13-9-6-10-19-15(13)16-20-17(22-21-16)14(18)11-12-7-4-3-5-8-12/h3-10,14H,2,11H2,1H3
InChIKeyAFDHCFRNGWGHLN-UHFFFAOYSA-N
XLogP3.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[chloro(phenyl)methyl]-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82731808
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 82736724
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
CID 82732102
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82736496

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole (CID 139003897) is 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole is CCc1cccnc1-c1noc(C(F)Cc2ccccc2)n1.
What is the InChIKey of 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is AFDHCFRNGWGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-2-13-9-6-10-19-15(13)16-20-17(22-21-16)14(18)11-12-7-4-3-5-8-12/h3-10,14H,2,11H2,1H3.
What are the key properties of 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole?
3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 297.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139003897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).