[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone

C18H20FN3O2 — CID 51494377

IUPAC[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1-c1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C18H20FN3O2/c19-14-6-4-13(5-7-14)17-16(20-12-24-17)18(23)22-10-9-21-8-2-1-3-15(21)11-22/h4-7,12,15H,1-3,8-11H2/t15-/m1/s1
InChIKeyMTESSPZHRSCKJT-OAHLLOKOSA-N
MW329.37 g/mol
LogP2.79
Rot. Bonds2

About [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone

[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 51494377) has the molecular formula C18H20FN3O2 and a molecular weight of 329.37 g/mol. Its IUPAC name is [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
PubChem CID51494377
Molecular FormulaC18H20FN3O2
Molecular Weight329.37 g/mol
Exact Mass329.15
IUPAC Name[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1-c1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C18H20FN3O2/c19-14-6-4-13(5-7-14)17-16(20-12-24-17)18(23)22-10-9-21-8-2-1-3-15(21)11-22/h4-7,12,15H,1-3,8-11H2/t15-/m1/s1
InChIKeyMTESSPZHRSCKJT-OAHLLOKOSA-N
XLogP2.79
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone (CID 51494377) is [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone is O=C(c1ncoc1-c1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1.
What is the InChIKey of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is MTESSPZHRSCKJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-6-4-13(5-7-14)17-16(20-12-24-17)18(23)22-10-9-21-8-2-1-3-15(21)11-22/h4-7,12,15H,1-3,8-11H2/t15-/m1/s1.
What are the key properties of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 329.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 51494377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).