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

C21H23N3O4 — CID 132657248

IUPAC2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCOc1cccc(OC(C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C21H23N3O4/c1-14-7-5-8-16(11-14)20-22-19(28-23-20)13-24(3)21(25)15(2)27-18-10-6-9-17(12-18)26-4/h5-12,15H,13H2,1-4H3
InChIKeyFDYVTZVJRQWICS-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.48
Rot. Bonds7

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

2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 132657248) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID132657248
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCOc1cccc(OC(C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C21H23N3O4/c1-14-7-5-8-16(11-14)20-22-19(28-23-20)13-24(3)21(25)15(2)27-18-10-6-9-17(12-18)26-4/h5-12,15H,13H2,1-4H3
InChIKeyFDYVTZVJRQWICS-UHFFFAOYSA-N
XLogP3.48
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 7425589
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132660166
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 133262004
(2S)-2-(2-chlorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 97267417
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133163789
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxy-N-propan-2-ylpropanamide
CID 40603676
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 84860842
(2S)-2-(3,5-dimethylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267542
2-(4-bromophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 50875020
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 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 132657248) is 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is COc1cccc(OC(C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is FDYVTZVJRQWICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-7-5-8-16(11-14)20-22-19(28-23-20)13-24(3)21(25)15(2)27-18-10-6-9-17(12-18)26-4/h5-12,15H,13H2,1-4H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 132657248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).