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

C21H22FN3O3 — CID 132657703

IUPAC2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C21H22FN3O3/c1-4-17(27-18-8-6-5-7-16(18)22)21(26)25(3)13-19-23-20(24-28-19)15-11-9-14(2)10-12-15/h5-12,17H,4,13H2,1-3H3
InChIKeyYNJGNHNEPPTCPW-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.00
Rot. Bonds7

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

2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (PubChem CID 132657703) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
PubChem CID132657703
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C21H22FN3O3/c1-4-17(27-18-8-6-5-7-16(18)22)21(26)25(3)13-19-23-20(24-28-19)15-11-9-14(2)10-12-15/h5-12,17H,4,13H2,1-3H3
InChIKeyYNJGNHNEPPTCPW-UHFFFAOYSA-N
XLogP4.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 132660175
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,5-dimethylphenoxy)-N-methylbutanamide
CID 132664455
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide
CID 132662134
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 17096204
N-methyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132654741
2-(2,3-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132659804
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 84860842
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-yloxypropanamide
CID 132661531
(2S)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 8875217
2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
CID 132663506
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132660166
2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 71980223

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (CID 132657703) is 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is CCC(Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The InChIKey is YNJGNHNEPPTCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-4-17(27-18-8-6-5-7-16(18)22)21(26)25(3)13-19-23-20(24-28-19)15-11-9-14(2)10-12-15/h5-12,17H,4,13H2,1-3H3.
What are the key properties of 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide has a molecular weight of 383.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 132657703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).