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

C20H18FN3O4 — CID 24791683

IUPAC3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESO=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1ccccc1F
InChIInChI=1S/C20H18FN3O4/c21-15-4-2-1-3-13(15)9-10-22-18(25)7-8-19-23-24-20(28-19)14-5-6-16-17(11-14)27-12-26-16/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyQYQNCRUOXOYURK-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.90
Rot. Bonds7

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

3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 24791683) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID24791683
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESO=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1ccccc1F
InChIInChI=1S/C20H18FN3O4/c21-15-4-2-1-3-13(15)9-10-22-18(25)7-8-19-23-24-20(28-19)14-5-6-16-17(11-14)27-12-26-16/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyQYQNCRUOXOYURK-UHFFFAOYSA-N
XLogP2.90
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 24791683) is 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide is O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1ccccc1F.
What is the InChIKey of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is QYQNCRUOXOYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-15-4-2-1-3-13(15)9-10-22-18(25)7-8-19-23-24-20(28-19)14-5-6-16-17(11-14)27-12-26-16/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 383.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 24791683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).