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

C21H23N3O3 — CID 53055639

IUPACN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)C(C)Oc3ccccc3)no2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-9-11-17(12-10-15)20-22-19(23-27-20)13-14-24(3)21(25)16(2)26-18-7-5-4-6-8-18/h4-12,16H,13-14H2,1-3H3
InChIKeyXUCAZBYLFXPPOZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.51
Rot. Bonds7

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

N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide (PubChem CID 53055639) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide
PubChem CID53055639
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)C(C)Oc3ccccc3)no2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-9-11-17(12-10-15)20-22-19(23-27-20)13-14-24(3)21(25)16(2)26-18-7-5-4-6-8-18/h4-12,16H,13-14H2,1-3H3
InChIKeyXUCAZBYLFXPPOZ-UHFFFAOYSA-N
XLogP3.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
CID 53055635
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
CID 53055195
ethyl (3S)-3-[[methyl-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]amino]-3-phenylpropanoate
CID 95064664
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 53055574
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
2-cyclopentyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 53055620
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
1-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methyl-3-phenylurea
CID 53055270

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide?
The IUPAC name of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide (CID 53055639) is N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide is Cc1ccc(-c2nc(CCN(C)C(=O)C(C)Oc3ccccc3)no2)cc1.
What is the InChIKey of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide?
The InChIKey is XUCAZBYLFXPPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-9-11-17(12-10-15)20-22-19(23-27-20)13-14-24(3)21(25)16(2)26-18-7-5-4-6-8-18/h4-12,16H,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide?
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide has a molecular weight of 365.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 53055639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).