N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide

C19H20FN3O2 — CID 71728797

IUPACN-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide
SMILESCN1OC(C)(CC(=O)NCc2ccccc2)N=C1c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-19(12-17(24)21-13-14-8-4-3-5-9-14)22-18(23(2)25-19)15-10-6-7-11-16(15)20/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyLSTBCAUZFXYNPA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.87
Rot. Bonds5

About N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide

N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 71728797) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID71728797
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide
SMILESCN1OC(C)(CC(=O)NCc2ccccc2)N=C1c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-19(12-17(24)21-13-14-8-4-3-5-9-14)22-18(23(2)25-19)15-10-6-7-11-16(15)20/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyLSTBCAUZFXYNPA-UHFFFAOYSA-N
XLogP2.87
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide (CID 71728797) is N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide is CN1OC(C)(CC(=O)NCc2ccccc2)N=C1c1ccccc1F.
What is the InChIKey of N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is LSTBCAUZFXYNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-19(12-17(24)21-13-14-8-4-3-5-9-14)22-18(23(2)25-19)15-10-6-7-11-16(15)20/h3-11H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide?
N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 341.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 71728797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).