N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide

C15H23N5O3 — CID 165420016

IUPACN-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C15H23N5O3/c21-13(16-11-4-2-1-3-5-11)19-7-6-15(9-19)10-20-12(8-23-15)17-18-14(20)22/h11H,1-10H2,(H,16,21)(H,18,22)
InChIKeyFGEMCHCWRHURAE-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.59
Rot. Bonds1

About N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide

N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide (PubChem CID 165420016) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide
PubChem CID165420016
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C15H23N5O3/c21-13(16-11-4-2-1-3-5-11)19-7-6-15(9-19)10-20-12(8-23-15)17-18-14(20)22/h11H,1-10H2,(H,16,21)(H,18,22)
InChIKeyFGEMCHCWRHURAE-UHFFFAOYSA-N
XLogP0.59
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide (CID 165420016) is N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide is O=C(NC1CCCCC1)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2.
What is the InChIKey of N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is FGEMCHCWRHURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c21-13(16-11-4-2-1-3-5-11)19-7-6-15(9-19)10-20-12(8-23-15)17-18-14(20)22/h11H,1-10H2,(H,16,21)(H,18,22).
What are the key properties of N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide?
N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 165420016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).