(2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole

C35H30N2O2 — CID 52921690

IUPAC(2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2N=C(c3cccc4c3[C@]3(CC4)CCc4cccc(C5=N[C@@H](c6ccccc6)CO5)c43)CO2)cc1
InChIInChI=1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-39-34(36-29)28-16-8-14-25-18-20-35(32(25)28)19-17-24-13-7-15-27(31(24)35)30-22-38-33(37-30)26-11-5-2-6-12-26/h1-16,29,33H,17-22H2/t29-,33-,35+/m1/s1
InChIKeyQSBJXOGJVXXJRA-DMOWINQSSA-N
MW510.64 g/mol
LogP6.90
Rot. Bonds4

About (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole

(2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole (PubChem CID 52921690) has the molecular formula C35H30N2O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole
PubChem CID52921690
Molecular FormulaC35H30N2O2
Molecular Weight510.64 g/mol
Exact Mass510.23
IUPAC Name(2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2N=C(c3cccc4c3[C@]3(CC4)CCc4cccc(C5=N[C@@H](c6ccccc6)CO5)c43)CO2)cc1
InChIInChI=1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-39-34(36-29)28-16-8-14-25-18-20-35(32(25)28)19-17-24-13-7-15-27(31(24)35)30-22-38-33(37-30)26-11-5-2-6-12-26/h1-16,29,33H,17-22H2/t29-,33-,35+/m1/s1
InChIKeyQSBJXOGJVXXJRA-DMOWINQSSA-N
XLogP6.90
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole?
The IUPAC name of (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole (CID 52921690) is (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole?
The canonical SMILES for (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole is c1ccc([C@@H]2N=C(c3cccc4c3[C@]3(CC4)CCc4cccc(C5=N[C@@H](c6ccccc6)CO5)c43)CO2)cc1.
What is the InChIKey of (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole?
The InChIKey is QSBJXOGJVXXJRA-DMOWINQSSA-N. The full InChI is InChI=1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-39-34(36-29)28-16-8-14-25-18-20-35(32(25)28)19-17-24-13-7-15-27(31(24)35)30-22-38-33(37-30)26-11-5-2-6-12-26/h1-16,29,33H,17-22H2/t29-,33-,35+/m1/s1.
What are the key properties of (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole?
(2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole has a molecular weight of 510.64 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 52921690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).