N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

C19H18FN3O3 — CID 55729286

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2cccc(OCC(=O)NCCc3ccc(F)cc3)c2)no1
InChIInChI=1S/C19H18FN3O3/c1-13-22-19(23-26-13)15-3-2-4-17(11-15)25-12-18(24)21-10-9-14-5-7-16(20)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyQETUGZOAKSXSSG-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 55729286) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID55729286
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2cccc(OCC(=O)NCCc3ccc(F)cc3)c2)no1
InChIInChI=1S/C19H18FN3O3/c1-13-22-19(23-26-13)15-3-2-4-17(11-15)25-12-18(24)21-10-9-14-5-7-16(20)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyQETUGZOAKSXSSG-UHFFFAOYSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032444
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55733377
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
2-(3-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718629
N-benzyl-2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50755668
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55733747
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110718805
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
N-benzyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 9253229
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 45032427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 55729286) is N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is Cc1nc(-c2cccc(OCC(=O)NCCc3ccc(F)cc3)c2)no1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is QETUGZOAKSXSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-13-22-19(23-26-13)15-3-2-4-17(11-15)25-12-18(24)21-10-9-14-5-7-16(20)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 55729286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).