3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

C20H20FN3O2 — CID 3239188

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc(CCNC(=O)CCc2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C20H20FN3O2/c1-14-5-4-6-15(13-14)11-12-22-18(25)9-10-19-23-20(24-26-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyWCKRPWLDCDTDPT-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.48
Rot. Bonds7

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide (PubChem CID 3239188) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
PubChem CID3239188
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc(CCNC(=O)CCc2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C20H20FN3O2/c1-14-5-4-6-15(13-14)11-12-22-18(25)9-10-19-23-20(24-26-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyWCKRPWLDCDTDPT-UHFFFAOYSA-N
XLogP3.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide (CID 3239188) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide is Cc1cccc(CCNC(=O)CCc2nc(-c3ccccc3F)no2)c1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
The InChIKey is WCKRPWLDCDTDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14-5-4-6-15(13-14)11-12-22-18(25)9-10-19-23-20(24-26-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3,(H,22,25).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 3239188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).