(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

C33H46N2O2 — CID 91291616

IUPAC(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)c1cccc(C[C@H]2N=C(CC3=N[C@H](Cc4cccc(C(C)C)c4)C(C(C)C)O3)OC2C(C)C)c1
InChIInChI=1S/C33H46N2O2/c1-20(2)26-13-9-11-24(15-26)17-28-32(22(5)6)36-30(34-28)19-31-35-29(33(37-31)23(7)8)18-25-12-10-14-27(16-25)21(3)4/h9-16,20-23,28-29,32-33H,17-19H2,1-8H3/t28-,29-,32?,33?/m1/s1
InChIKeyAYFZADMNHKDBJE-RAKUCFPKSA-N
MW502.74 g/mol
LogP7.75
Rot. Bonds10

About (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 91291616) has the molecular formula C33H46N2O2 and a molecular weight of 502.74 g/mol. Its IUPAC name is (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID91291616
Molecular FormulaC33H46N2O2
Molecular Weight502.74 g/mol
Exact Mass502.36
IUPAC Name(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)c1cccc(C[C@H]2N=C(CC3=N[C@H](Cc4cccc(C(C)C)c4)C(C(C)C)O3)OC2C(C)C)c1
InChIInChI=1S/C33H46N2O2/c1-20(2)26-13-9-11-24(15-26)17-28-32(22(5)6)36-30(34-28)19-31-35-29(33(37-31)23(7)8)18-25-12-10-14-27(16-25)21(3)4/h9-16,20-23,28-29,32-33H,17-19H2,1-8H3/t28-,29-,32?,33?/m1/s1
InChIKeyAYFZADMNHKDBJE-RAKUCFPKSA-N
XLogP7.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.74
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (CID 91291616) is (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is CC(C)c1cccc(C[C@H]2N=C(CC3=N[C@H](Cc4cccc(C(C)C)c4)C(C(C)C)O3)OC2C(C)C)c1.
What is the InChIKey of (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is AYFZADMNHKDBJE-RAKUCFPKSA-N. The full InChI is InChI=1S/C33H46N2O2/c1-20(2)26-13-9-11-24(15-26)17-28-32(22(5)6)36-30(34-28)19-31-35-29(33(37-31)23(7)8)18-25-12-10-14-27(16-25)21(3)4/h9-16,20-23,28-29,32-33H,17-19H2,1-8H3/t28-,29-,32?,33?/m1/s1.
What are the key properties of (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 502.74 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91291616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).