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

C47H42N2O2 — CID 134338244

IUPAC4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
SMILESCC(C)(C1=NC(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1)C1=NC(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C47H42N2O2/c1-45(2,43-48-41(33-35-21-9-3-10-22-35)46(50-43,37-25-13-5-14-26-37)38-27-15-6-16-28-38)44-49-42(34-36-23-11-4-12-24-36)47(51-44,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32,41-42H,33-34H2,1-2H3
InChIKeyLKVYTICNAWISFE-UHFFFAOYSA-N
MW666.87 g/mol
LogP9.98
Rot. Bonds10

About 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

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 (PubChem CID 134338244) has the molecular formula C47H42N2O2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
PubChem CID134338244
Molecular FormulaC47H42N2O2
Molecular Weight666.87 g/mol
Exact Mass666.32
IUPAC Name4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
SMILESCC(C)(C1=NC(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1)C1=NC(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C47H42N2O2/c1-45(2,43-48-41(33-35-21-9-3-10-22-35)46(50-43,37-25-13-5-14-26-37)38-27-15-6-16-28-38)44-49-42(34-36-23-11-4-12-24-36)47(51-44,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32,41-42H,33-34H2,1-2H3
InChIKeyLKVYTICNAWISFE-UHFFFAOYSA-N
XLogP9.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C1=NC(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1)C1=NC(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 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?
The InChIKey is LKVYTICNAWISFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N2O2/c1-45(2,43-48-41(33-35-21-9-3-10-22-35)46(50-43,37-25-13-5-14-26-37)38-27-15-6-16-28-38)44-49-42(34-36-23-11-4-12-24-36)47(51-44,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32,41-42H,33-34H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 666.87 g/mol, XLogP of 9.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134338244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).