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

C21H23N3O4 — CID 6472855

IUPAC2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-6-5-7-16(12-14)20-22-19(28-23-20)13-24(3)21(25)15(2)27-18-10-8-17(26-4)9-11-18/h5-12,15H,13H2,1-4H3
InChIKeyVOZXMBGWJMCTCV-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.48
Rot. Bonds7

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

2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 6472855) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID6472855
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-6-5-7-16(12-14)20-22-19(28-23-20)13-24(3)21(25)15(2)27-18-10-8-17(26-4)9-11-18/h5-12,15H,13H2,1-4H3
InChIKeyVOZXMBGWJMCTCV-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

2-(2-bromo-4-ethylphenoxy)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 16013313
2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6473367
1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 16189001
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
2-(4-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 2991054
2-(4-ethylphenoxy)-N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2992442
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide
CID 16483731
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
N-Isopropyl-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 71663305
N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-N-isopropyl-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 71663307

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 6472855) is 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is COc1ccc(OC(C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is VOZXMBGWJMCTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-6-5-7-16(12-14)20-22-19(28-23-20)13-24(3)21(25)15(2)27-18-10-8-17(26-4)9-11-18/h5-12,15H,13H2,1-4H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
2-(4-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-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 6472855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).