1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

C15H19FN4O2 — CID 70037773

IUPAC1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESO=C1CNCC2OC3(CCN(c4ccncc4F)CC3)CN12
InChIInChI=1S/C15H19FN4O2/c16-11-7-17-4-1-12(11)19-5-2-15(3-6-19)10-20-13(21)8-18-9-14(20)22-15/h1,4,7,14,18H,2-3,5-6,8-10H2
InChIKeyBMHWLTYWSHXYPF-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.35
Rot. Bonds1

About 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (PubChem CID 70037773) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
PubChem CID70037773
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESO=C1CNCC2OC3(CCN(c4ccncc4F)CC3)CN12
InChIInChI=1S/C15H19FN4O2/c16-11-7-17-4-1-12(11)19-5-2-15(3-6-19)10-20-13(21)8-18-9-14(20)22-15/h1,4,7,14,18H,2-3,5-6,8-10H2
InChIKeyBMHWLTYWSHXYPF-UHFFFAOYSA-N
XLogP0.35
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The IUPAC name of 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (CID 70037773) is 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.
What is the SMILES notation for 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The canonical SMILES for 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is O=C1CNCC2OC3(CCN(c4ccncc4F)CC3)CN12.
What is the InChIKey of 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The InChIKey is BMHWLTYWSHXYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-11-7-17-4-1-12(11)19-5-2-15(3-6-19)10-20-13(21)8-18-9-14(20)22-15/h1,4,7,14,18H,2-3,5-6,8-10H2.
What are the key properties of 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one has a molecular weight of 306.34 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is sourced from PubChem (CID 70037773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).