(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole

C43H50N2O2 — CID 154705650

IUPAC(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(Cc2ccc(C(C)(C)C)cc2)(C2=N[C@@H](Cc3ccccc3)CO2)C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C43H50N2O2/c1-41(2,3)35-21-17-33(18-22-35)27-43(28-34-19-23-36(24-20-34)42(4,5)6,39-44-37(29-46-39)25-31-13-9-7-10-14-31)40-45-38(30-47-40)26-32-15-11-8-12-16-32/h7-24,37-38H,25-30H2,1-6H3/t37-,38-/m0/s1
InChIKeyAWYMMKAJDBJCQW-UWXQCODUSA-N
MW626.89 g/mol
LogP9.13
Rot. Bonds10

About (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 154705650) has the molecular formula C43H50N2O2 and a molecular weight of 626.89 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID154705650
Molecular FormulaC43H50N2O2
Molecular Weight626.89 g/mol
Exact Mass626.39
IUPAC Name(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(Cc2ccc(C(C)(C)C)cc2)(C2=N[C@@H](Cc3ccccc3)CO2)C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C43H50N2O2/c1-41(2,3)35-21-17-33(18-22-35)27-43(28-34-19-23-36(24-20-34)42(4,5)6,39-44-37(29-46-39)25-31-13-9-7-10-14-31)40-45-38(30-47-40)26-32-15-11-8-12-16-32/h7-24,37-38H,25-30H2,1-6H3/t37-,38-/m0/s1
InChIKeyAWYMMKAJDBJCQW-UWXQCODUSA-N
XLogP9.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.89
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole 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 (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 154705650) is (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccc(CC(Cc2ccc(C(C)(C)C)cc2)(C2=N[C@@H](Cc3ccccc3)CO2)C2=N[C@@H](Cc3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is AWYMMKAJDBJCQW-UWXQCODUSA-N. The full InChI is InChI=1S/C43H50N2O2/c1-41(2,3)35-21-17-33(18-22-35)27-43(28-34-19-23-36(24-20-34)42(4,5)6,39-44-37(29-46-39)25-31-13-9-7-10-14-31)40-45-38(30-47-40)26-32-15-11-8-12-16-32/h7-24,37-38H,25-30H2,1-6H3/t37-,38-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 626.89 g/mol, XLogP of 9.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154705650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).