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

C16H22N4O2 — CID 47022427

IUPAC2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1noc(C(C)N(C)CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H22N4O2/c1-5-14-18-16(22-19-14)12(3)20(4)10-15(21)17-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,17,21)
InChIKeyAYNJCDIWXVGGFM-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.57
Rot. Bonds6

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

2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 47022427) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID47022427
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1noc(C(C)N(C)CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H22N4O2/c1-5-14-18-16(22-19-14)12(3)20(4)10-15(21)17-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,17,21)
InChIKeyAYNJCDIWXVGGFM-UHFFFAOYSA-N
XLogP2.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide (CID 47022427) is 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide is CCc1noc(C(C)N(C)CC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is AYNJCDIWXVGGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-14-18-16(22-19-14)12(3)20(4)10-15(21)17-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,17,21).
What are the key properties of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 47022427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).