N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide

C20H19ClFN3O3 — CID 132662134

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClFN3O3/c1-3-17(27-16-10-8-15(22)9-11-16)20(26)25(2)12-18-23-19(24-28-18)13-4-6-14(21)7-5-13/h4-11,17H,3,12H2,1-2H3
InChIKeyRXGNBGMPLTXCCO-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.35
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide (PubChem CID 132662134) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide
PubChem CID132662134
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClFN3O3/c1-3-17(27-16-10-8-15(22)9-11-16)20(26)25(2)12-18-23-19(24-28-18)13-4-6-14(21)7-5-13/h4-11,17H,3,12H2,1-2H3
InChIKeyRXGNBGMPLTXCCO-UHFFFAOYSA-N
XLogP4.35
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 17096204
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 97267392
2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
CID 132663506
2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132657703
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxybutanamide
CID 17096205
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,5-dimethylphenoxy)-N-methylbutanamide
CID 132664455
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxy-N-propan-2-ylbutanamide
CID 8875205
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 132660175
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874769
(2S)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 8875217
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)-N-methylbutanamide
CID 132672307
N-methyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132654741

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide (CID 132662134) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide is CCC(Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide?
The InChIKey is RXGNBGMPLTXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-3-17(27-16-10-8-15(22)9-11-16)20(26)25(2)12-18-23-19(24-28-18)13-4-6-14(21)7-5-13/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide has a molecular weight of 403.84 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide is sourced from PubChem (CID 132662134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).