2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide

C16H21N3O3 — CID 154878074

IUPAC2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide
SMILESCCCCC(C)C(=O)Nc1ccc(C2=NNC(=O)CO2)cc1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-11(2)15(21)17-13-8-6-12(7-9-13)16-19-18-14(20)10-22-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyAWMZSUKHYMDLLP-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.26
Rot. Bonds6

About 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide

2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide (PubChem CID 154878074) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide
PubChem CID154878074
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide
SMILESCCCCC(C)C(=O)Nc1ccc(C2=NNC(=O)CO2)cc1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-11(2)15(21)17-13-8-6-12(7-9-13)16-19-18-14(20)10-22-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyAWMZSUKHYMDLLP-UHFFFAOYSA-N
XLogP2.26
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide?
The IUPAC name of 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide (CID 154878074) is 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide.
What is the SMILES notation for 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide?
The canonical SMILES for 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide is CCCCC(C)C(=O)Nc1ccc(C2=NNC(=O)CO2)cc1.
What is the InChIKey of 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide?
The InChIKey is AWMZSUKHYMDLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-4-5-11(2)15(21)17-13-8-6-12(7-9-13)16-19-18-14(20)10-22-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide?
2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide has a molecular weight of 303.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]hexanamide is sourced from PubChem (CID 154878074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).