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

C13H22N4O3 — CID 118789434

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C13H22N4O3/c1-10-11(16-20-15-10)8-12(18)14-9-13(17(2)3)4-6-19-7-5-13/h4-9H2,1-3H3,(H,14,18)
InChIKeyUFRWZJRKCIWJNN-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.15
Rot. Bonds5

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

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 118789434) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID118789434
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C13H22N4O3/c1-10-11(16-20-15-10)8-12(18)14-9-13(17(2)3)4-6-19-7-5-13/h4-9H2,1-3H3,(H,14,18)
InChIKeyUFRWZJRKCIWJNN-UHFFFAOYSA-N
XLogP0.15
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 118789434) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NCC1(N(C)C)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is UFRWZJRKCIWJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10-11(16-20-15-10)8-12(18)14-9-13(17(2)3)4-6-19-7-5-13/h4-9H2,1-3H3,(H,14,18).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 118789434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).