(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole

C39H42N2O2 — CID 11376555

IUPAC(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(C(C)(C)C2=N[C@@H](C(C)C)C(c3ccccc3)(c3ccccc3)O2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H42N2O2/c1-27(2)33-38(29-19-11-7-12-20-29,30-21-13-8-14-22-30)42-35(40-33)37(5,6)36-41-34(28(3)4)39(43-36,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-28,33-34H,1-6H3/t33-,34-/m0/s1
InChIKeyZZBOPRMTINPUSA-HEVIKAOCSA-N
MW570.78 g/mol
LogP8.81
Rot. Bonds8

About (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole

(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole (PubChem CID 11376555) has the molecular formula C39H42N2O2 and a molecular weight of 570.78 g/mol. Its IUPAC name is (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
PubChem CID11376555
Molecular FormulaC39H42N2O2
Molecular Weight570.78 g/mol
Exact Mass570.32
IUPAC Name(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(C(C)(C)C2=N[C@@H](C(C)C)C(c3ccccc3)(c3ccccc3)O2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H42N2O2/c1-27(2)33-38(29-19-11-7-12-20-29,30-21-13-8-14-22-30)42-35(40-33)37(5,6)36-41-34(28(3)4)39(43-36,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-28,33-34H,1-6H3/t33-,34-/m0/s1
InChIKeyZZBOPRMTINPUSA-HEVIKAOCSA-N
XLogP8.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
CID 134338244
(4R)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 174626798
(4S)-2-(3-bromothiophen-2-yl)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 122369541
(4S)-2-[3,5-bis[(4S)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 102176871
(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole
CID 66632300
4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
CID 155885296
(4R)-2-[2-[(4R)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
CID 66632491
(4R)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11300512
(4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel
CID 87319807
(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117326
(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole
CID 102050789
1-(2,2-diphenyloxolan-3-yl)ethanamine
CID 126485677

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
The IUPAC name of (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole (CID 11376555) is (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole is CC(C)[C@@H]1N=C(C(C)(C)C2=N[C@@H](C(C)C)C(c3ccccc3)(c3ccccc3)O2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
The InChIKey is ZZBOPRMTINPUSA-HEVIKAOCSA-N. The full InChI is InChI=1S/C39H42N2O2/c1-27(2)33-38(29-19-11-7-12-20-29,30-21-13-8-14-22-30)42-35(40-33)37(5,6)36-41-34(28(3)4)39(43-36,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-28,33-34H,1-6H3/t33-,34-/m0/s1.
What are the key properties of (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole has a molecular weight of 570.78 g/mol, XLogP of 8.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole is sourced from PubChem (CID 11376555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).