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

C19H26N4O2 — CID 91843306

IUPAC2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)Cc2noc(C3CCC3)n2)cc1
InChIInChI=1S/C19H26N4O2/c1-13-7-9-15(10-8-13)14(2)20-18(24)12-23(3)11-17-21-19(25-22-17)16-5-4-6-16/h7-10,14,16H,4-6,11-12H2,1-3H3,(H,20,24)
InChIKeyPOYBGQYXZASVMP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.95
Rot. Bonds7

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

2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 91843306) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID91843306
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)Cc2noc(C3CCC3)n2)cc1
InChIInChI=1S/C19H26N4O2/c1-13-7-9-15(10-8-13)14(2)20-18(24)12-23(3)11-17-21-19(25-22-17)16-5-4-6-16/h7-10,14,16H,4-6,11-12H2,1-3H3,(H,20,24)
InChIKeyPOYBGQYXZASVMP-UHFFFAOYSA-N
XLogP2.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide (CID 91843306) is 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CN(C)Cc2noc(C3CCC3)n2)cc1.
What is the InChIKey of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is POYBGQYXZASVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-7-9-15(10-8-13)14(2)20-18(24)12-23(3)11-17-21-19(25-22-17)16-5-4-6-16/h7-10,14,16H,4-6,11-12H2,1-3H3,(H,20,24).
What are the key properties of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 91843306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).