tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate

C15H25N3O4 — CID 70039305

IUPACtert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN1C(=O)CNCC1O2
InChIInChI=1S/C15H25N3O4/c1-14(2,3)22-13(20)17-6-4-15(5-7-17)10-18-11(19)8-16-9-12(18)21-15/h12,16H,4-10H2,1-3H3
InChIKeyFDQYVNGQIDZDFW-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.54
Rot. Bonds

About tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate

tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate (PubChem CID 70039305) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate
PubChem CID70039305
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN1C(=O)CNCC1O2
InChIInChI=1S/C15H25N3O4/c1-14(2,3)22-13(20)17-6-4-15(5-7-17)10-18-11(19)8-16-9-12(18)21-15/h12,16H,4-10H2,1-3H3
InChIKeyFDQYVNGQIDZDFW-UHFFFAOYSA-N
XLogP0.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate (CID 70039305) is tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN1C(=O)CNCC1O2.
What is the InChIKey of tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is FDQYVNGQIDZDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-14(2,3)22-13(20)17-6-4-15(5-7-17)10-18-11(19)8-16-9-12(18)21-15/h12,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate?
tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 70039305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).