(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one

C24H30N2O2 — CID 15468887

IUPAC(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
SMILESCCCCCC[C@@H]1C[C@H](c2ccccc2)N2[C@H](c3ccccc3)COC(=O)N12
InChIInChI=1S/C24H30N2O2/c1-2-3-4-11-16-21-17-22(19-12-7-5-8-13-19)26-23(18-28-24(27)25(21)26)20-14-9-6-10-15-20/h5-10,12-15,21-23H,2-4,11,16-18H2,1H3/t21-,22-,23+/m1/s1
InChIKeyFPPVYCXUFPYEKS-ZLNRFVROSA-N
MW378.52 g/mol
LogP5.88
Rot. Bonds7

About (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one

(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one (PubChem CID 15468887) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one.

Molecular Properties

Compound Name(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
PubChem CID15468887
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
SMILESCCCCCC[C@@H]1C[C@H](c2ccccc2)N2[C@H](c3ccccc3)COC(=O)N12
InChIInChI=1S/C24H30N2O2/c1-2-3-4-11-16-21-17-22(19-12-7-5-8-13-19)26-23(18-28-24(27)25(21)26)20-14-9-6-10-15-20/h5-10,12-15,21-23H,2-4,11,16-18H2,1H3/t21-,22-,23+/m1/s1
InChIKeyFPPVYCXUFPYEKS-ZLNRFVROSA-N
XLogP5.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 101345822
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10936532
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CID 139038611
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(3R,5S,8aR)-5-pentyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
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[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one
CID 22291162
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
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Frequently Asked Questions

What is the IUPAC name of (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
The IUPAC name of (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one (CID 15468887) is (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one.
What is the SMILES notation for (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
The canonical SMILES for (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one is CCCCCC[C@@H]1C[C@H](c2ccccc2)N2[C@H](c3ccccc3)COC(=O)N12.
What is the InChIKey of (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
The InChIKey is FPPVYCXUFPYEKS-ZLNRFVROSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-3-4-11-16-21-17-22(19-12-7-5-8-13-19)26-23(18-28-24(27)25(21)26)20-14-9-6-10-15-20/h5-10,12-15,21-23H,2-4,11,16-18H2,1H3/t21-,22-,23+/m1/s1.
What are the key properties of (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one has a molecular weight of 378.52 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one is sourced from PubChem (CID 15468887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).