(3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole

C24H23NO2 — CID 15429864

IUPAC(3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole
SMILESc1ccc(CN2O[C@@H](c3ccccc3)[C@@H]3CO[C@@H](c4ccccc4)[C@@H]32)cc1
InChIInChI=1S/C24H23NO2/c1-4-10-18(11-5-1)16-25-22-21(23(27-25)19-12-6-2-7-13-19)17-26-24(22)20-14-8-3-9-15-20/h1-15,21-24H,16-17H2/t21-,22-,23+,24+/m1/s1
InChIKeyMOCRPBPHXWAUMB-LWSSLDFYSA-N
MW357.45 g/mol
LogP4.93
Rot. Bonds4

About (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole

(3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole (PubChem CID 15429864) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole
PubChem CID15429864
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole
SMILESc1ccc(CN2O[C@@H](c3ccccc3)[C@@H]3CO[C@@H](c4ccccc4)[C@@H]32)cc1
InChIInChI=1S/C24H23NO2/c1-4-10-18(11-5-1)16-25-22-21(23(27-25)19-12-6-2-7-13-19)17-26-24(22)20-14-8-3-9-15-20/h1-15,21-24H,16-17H2/t21-,22-,23+,24+/m1/s1
InChIKeyMOCRPBPHXWAUMB-LWSSLDFYSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole with MolForge

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Related Compounds

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CID 10779068
1-benzyl-3,4-diphenylpyrrolidine
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CID 10853443
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CID 140974143
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CID 160853215
(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 40520713
1-benzyl-1,3-diazetidine
CID 67702530
1-benzyl-4-phenylpyrrolidin-3-ol
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1-benzylazepane-3,4,5,6-tetrol
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(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole?
The IUPAC name of (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole (CID 15429864) is (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole.
What is the SMILES notation for (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole?
The canonical SMILES for (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole is c1ccc(CN2O[C@@H](c3ccccc3)[C@@H]3CO[C@@H](c4ccccc4)[C@@H]32)cc1.
What is the InChIKey of (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole?
The InChIKey is MOCRPBPHXWAUMB-LWSSLDFYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-4-10-18(11-5-1)16-25-22-21(23(27-25)19-12-6-2-7-13-19)17-26-24(22)20-14-8-3-9-15-20/h1-15,21-24H,16-17H2/t21-,22-,23+,24+/m1/s1.
What are the key properties of (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole?
(3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole has a molecular weight of 357.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6S,6aR)-1-benzyl-3,6-diphenyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole is sourced from PubChem (CID 15429864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).