N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide

C17H19N5O4 — CID 165422154

IUPACN-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2)c1ccccc1
InChIInChI=1S/C17H19N5O4/c23-14(8-18-15(24)12-4-2-1-3-5-12)21-7-6-17(10-21)11-22-13(9-26-17)19-20-16(22)25/h1-5H,6-11H2,(H,18,24)(H,20,25)
InChIKeyPPZCDMJWEAXILI-UHFFFAOYSA-N
MW357.37 g/mol
LogP-0.50
Rot. Bonds3

About N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide

N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide (PubChem CID 165422154) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide
PubChem CID165422154
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC NameN-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2)c1ccccc1
InChIInChI=1S/C17H19N5O4/c23-14(8-18-15(24)12-4-2-1-3-5-12)21-7-6-17(10-21)11-22-13(9-26-17)19-20-16(22)25/h1-5H,6-11H2,(H,18,24)(H,20,25)
InChIKeyPPZCDMJWEAXILI-UHFFFAOYSA-N
XLogP-0.50
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide with MolForge

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Related Compounds

1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165421895
1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165418303
N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
CID 90618254
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165422356
N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
CID 108758056
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
CID 157015540
N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide
CID 24954333
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
1'-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165422054
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide (CID 165422154) is N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide is O=C(NCC(=O)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide?
The InChIKey is PPZCDMJWEAXILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-14(8-18-15(24)12-4-2-1-3-5-12)21-7-6-17(10-21)11-22-13(9-26-17)19-20-16(22)25/h1-5H,6-11H2,(H,18,24)(H,20,25).
What are the key properties of N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide?
N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide has a molecular weight of 357.37 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide is sourced from PubChem (CID 165422154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).