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

C24H22N2O2 — CID 15880040

IUPAC(4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2[C@@H](c3ccccc3)C[C@@H](c3ccccc3)N12
InChIInChI=1S/C24H22N2O2/c27-24-26-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)25(26)23(17-28-24)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2/t21-,22+,23+/m1/s1
InChIKeyXAKDTIPBFYOKRH-VJBWXMMDSA-N
MW370.45 g/mol
LogP5.28
Rot. Bonds3

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

(4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one (PubChem CID 15880040) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one.

Molecular Properties

Compound Name(4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
PubChem CID15880040
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2[C@@H](c3ccccc3)C[C@@H](c3ccccc3)N12
InChIInChI=1S/C24H22N2O2/c27-24-26-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)25(26)23(17-28-24)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2/t21-,22+,23+/m1/s1
InChIKeyXAKDTIPBFYOKRH-VJBWXMMDSA-N
XLogP5.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,6R,8S)-4,6,8-triphenyl-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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3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
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phenyl N-benzyloxazolidinone
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CID 58622432
1-[1-[Benzyl(cyclohexa-1,3-dien-1-ylmethyl)amino]-2-(3,5-difluorophenyl)ethyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 69296445
1-[1-(Dibenzylamino)-2-(3,5-difluorophenyl)ethyl]-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 69297882
(1S,8aS)-1-[(1S)-1-(dibenzylamino)-2-(3,5-difluorophenyl)ethyl]-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 91226082

Frequently Asked Questions

What is the IUPAC name of (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
The IUPAC name of (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one (CID 15880040) is (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one.
What is the SMILES notation for (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
The canonical SMILES for (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one is O=C1OC[C@@H](c2ccccc2)N2[C@@H](c3ccccc3)C[C@@H](c3ccccc3)N12.
What is the InChIKey of (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
The InChIKey is XAKDTIPBFYOKRH-VJBWXMMDSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-24-26-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)25(26)23(17-28-24)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2/t21-,22+,23+/m1/s1.
What are the key properties of (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one?
(4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one has a molecular weight of 370.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8S)-4,6,8-triphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one is sourced from PubChem (CID 15880040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).