N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide

C25H22FN3O3 — CID 46948187

IUPACN-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2C(=O)C(Cc3ccccc3)ON=C2c2cccc(F)c2)cc1
InChIInChI=1S/C25H22FN3O3/c1-17(30)27-22-12-10-19(11-13-22)16-29-24(20-8-5-9-21(26)15-20)28-32-23(25(29)31)14-18-6-3-2-4-7-18/h2-13,15,23H,14,16H2,1H3,(H,27,30)
InChIKeySDECTLVWLWFKPM-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.12
Rot. Bonds6

About N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide

N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide (PubChem CID 46948187) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide
PubChem CID46948187
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC NameN-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2C(=O)C(Cc3ccccc3)ON=C2c2cccc(F)c2)cc1
InChIInChI=1S/C25H22FN3O3/c1-17(30)27-22-12-10-19(11-13-22)16-29-24(20-8-5-9-21(26)15-20)28-32-23(25(29)31)14-18-6-3-2-4-7-18/h2-13,15,23H,14,16H2,1H3,(H,27,30)
InChIKeySDECTLVWLWFKPM-UHFFFAOYSA-N
XLogP4.12
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide (CID 46948187) is N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2C(=O)C(Cc3ccccc3)ON=C2c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide?
The InChIKey is SDECTLVWLWFKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-17(30)27-22-12-10-19(11-13-22)16-29-24(20-8-5-9-21(26)15-20)28-32-23(25(29)31)14-18-6-3-2-4-7-18/h2-13,15,23H,14,16H2,1H3,(H,27,30).
What are the key properties of N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide?
N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide has a molecular weight of 431.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-benzyl-3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 46948187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).