2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol

C32H39NO2 — CID 22987247

IUPAC2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESCC(C)(C)c1cc(C2=NC(C(O)(Cc3ccccc3)Cc3ccccc3)CO2)cc(C(C)(C)C)c1
InChIInChI=1S/C32H39NO2/c1-30(2,3)26-17-25(18-27(19-26)31(4,5)6)29-33-28(22-35-29)32(34,20-23-13-9-7-10-14-23)21-24-15-11-8-12-16-24/h7-19,28,34H,20-22H2,1-6H3
InChIKeyGVXILPCUBYTDAG-UHFFFAOYSA-N
MW469.67 g/mol
LogP6.64
Rot. Bonds6

About 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol

2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (PubChem CID 22987247) has the molecular formula C32H39NO2 and a molecular weight of 469.67 g/mol. Its IUPAC name is 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.

Molecular Properties

Compound Name2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
PubChem CID22987247
Molecular FormulaC32H39NO2
Molecular Weight469.67 g/mol
Exact Mass469.30
IUPAC Name2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESCC(C)(C)c1cc(C2=NC(C(O)(Cc3ccccc3)Cc3ccccc3)CO2)cc(C(C)(C)C)c1
InChIInChI=1S/C32H39NO2/c1-30(2,3)26-17-25(18-27(19-26)31(4,5)6)29-33-28(22-35-29)32(34,20-23-13-9-7-10-14-23)21-24-15-11-8-12-16-24/h7-19,28,34H,20-22H2,1-6H3
InChIKeyGVXILPCUBYTDAG-UHFFFAOYSA-N
XLogP6.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The IUPAC name of 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (CID 22987247) is 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.
What is the SMILES notation for 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The canonical SMILES for 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is CC(C)(C)c1cc(C2=NC(C(O)(Cc3ccccc3)Cc3ccccc3)CO2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The InChIKey is GVXILPCUBYTDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO2/c1-30(2,3)26-17-25(18-27(19-26)31(4,5)6)29-33-28(22-35-29)32(34,20-23-13-9-7-10-14-23)21-24-15-11-8-12-16-24/h7-19,28,34H,20-22H2,1-6H3.
What are the key properties of 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol has a molecular weight of 469.67 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is sourced from PubChem (CID 22987247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).