(1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione

C26H28N2O3 — CID 10873431

IUPAC(1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCC1(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)C[C@@]2(C)C[C@@](C)(C1)C(=O)NC2=O
InChIInChI=1S/C26H28N2O3/c1-24-14-25(2,22(30)28-21(24)29)16-26(3,15-24)23-27-19(17-10-6-4-7-11-17)20(31-23)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H,28,29,30)/t19-,20-,24-,25+,26?/m1/s1
InChIKeySEEGPLZJSGHXPR-BDOXIVDKSA-N
MW416.52 g/mol
LogP4.76
Rot. Bonds3

About (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione

(1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione (PubChem CID 10873431) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione.

Molecular Properties

Compound Name(1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
PubChem CID10873431
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name(1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCC1(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)C[C@@]2(C)C[C@@](C)(C1)C(=O)NC2=O
InChIInChI=1S/C26H28N2O3/c1-24-14-25(2,22(30)28-21(24)29)16-26(3,15-24)23-27-19(17-10-6-4-7-11-17)20(31-23)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H,28,29,30)/t19-,20-,24-,25+,26?/m1/s1
InChIKeySEEGPLZJSGHXPR-BDOXIVDKSA-N
XLogP4.76
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione with MolForge

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Related Compounds

(1S,5S)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 15195144
3-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-formyl-1,3,5-trimethylcyclohexane-1-carboxamide
CID 89204003
2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol
CID 11394012
(4S)-2-[2-[(4S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101210417
(4R,5R)-2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10972956
(4R,5R)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 90840286
7-(hydroxymethyl)-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 134857778
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 155889518
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
1-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
CID 23380091
1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59910326

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
The IUPAC name of (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione (CID 10873431) is (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione.
What is the SMILES notation for (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
The canonical SMILES for (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione is CC1(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)C[C@@]2(C)C[C@@](C)(C1)C(=O)NC2=O.
What is the InChIKey of (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
The InChIKey is SEEGPLZJSGHXPR-BDOXIVDKSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-24-14-25(2,22(30)28-21(24)29)16-26(3,15-24)23-27-19(17-10-6-4-7-11-17)20(31-23)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H,28,29,30)/t19-,20-,24-,25+,26?/m1/s1.
What are the key properties of (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
(1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione has a molecular weight of 416.52 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione is sourced from PubChem (CID 10873431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).