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

C20H20ClN3O3 — CID 92870339

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCCc1noc(-c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H20ClN3O3/c1-3-18-23-20(27-24-18)15-6-10-17(11-7-15)26-12-19(25)22-13(2)14-4-8-16(21)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyVFYHEPBZQLGDCD-ZDUSSCGKSA-N
MW385.85 g/mol
LogP4.21
Rot. Bonds7

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

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 92870339) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID92870339
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCCc1noc(-c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H20ClN3O3/c1-3-18-23-20(27-24-18)15-6-10-17(11-7-15)26-12-19(25)22-13(2)14-4-8-16(21)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyVFYHEPBZQLGDCD-ZDUSSCGKSA-N
XLogP4.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 46266818
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266785
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
N-[(4-chlorophenyl)methyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-methylacetamide
CID 50746918
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238087
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552865

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 92870339) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is CCc1noc(-c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is VFYHEPBZQLGDCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-3-18-23-20(27-24-18)15-6-10-17(11-7-15)26-12-19(25)22-13(2)14-4-8-16(21)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,22,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 385.85 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 92870339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).