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

C20H21N3O3 — CID 8836481

IUPACN-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-4-8-16(9-5-14)20-21-18(26-22-20)12-23(3)19(24)13-25-17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3
InChIKeyLNSDBJLBJOMJQR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.39
Rot. Bonds6

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

N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 8836481) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID8836481
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-4-8-16(9-5-14)20-21-18(26-22-20)12-23(3)19(24)13-25-17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3
InChIKeyLNSDBJLBJOMJQR-UHFFFAOYSA-N
XLogP3.39
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 8836481) is N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is LNSDBJLBJOMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-4-8-16(9-5-14)20-21-18(26-22-20)12-23(3)19(24)13-25-17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 8836481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).