2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide

C22H26N4O3 — CID 167824879

IUPAC2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide
SMILESCC(C)(CN1CCOCC1)c1nc(CC(=O)Nc2cccc3ccccc23)no1
InChIInChI=1S/C22H26N4O3/c1-22(2,15-26-10-12-28-13-11-26)21-24-19(25-29-21)14-20(27)23-18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,10-15H2,1-2H3,(H,23,27)
InChIKeyYIBICFIVSCTDEC-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.01
Rot. Bonds6

About 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide

2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide (PubChem CID 167824879) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide
PubChem CID167824879
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide
SMILESCC(C)(CN1CCOCC1)c1nc(CC(=O)Nc2cccc3ccccc23)no1
InChIInChI=1S/C22H26N4O3/c1-22(2,15-26-10-12-28-13-11-26)21-24-19(25-29-21)14-20(27)23-18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,10-15H2,1-2H3,(H,23,27)
InChIKeyYIBICFIVSCTDEC-UHFFFAOYSA-N
XLogP3.01
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide (CID 167824879) is 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide is CC(C)(CN1CCOCC1)c1nc(CC(=O)Nc2cccc3ccccc23)no1.
What is the InChIKey of 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is YIBICFIVSCTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(2,15-26-10-12-28-13-11-26)21-24-19(25-29-21)14-20(27)23-18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,10-15H2,1-2H3,(H,23,27).
What are the key properties of 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide?
2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 394.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 167824879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).