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

C37H54N2O2 — CID 102481349

IUPAC(4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CO1)C1=N[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CO1
InChIInChI=1S/C37H54N2O2/c1-33(2,3)25-15-23(16-26(19-25)34(4,5)6)29-21-40-31(38-29)37(13,14)32-39-30(22-41-32)24-17-27(35(7,8)9)20-28(18-24)36(10,11)12/h15-20,29-30H,21-22H2,1-14H3/t29-,30-/m1/s1
InChIKeyZSKWAXQQJVVCTG-LOYHVIPDSA-N
MW558.85 g/mol
LogP9.54
Rot. Bonds4

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

(4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 102481349) has the molecular formula C37H54N2O2 and a molecular weight of 558.85 g/mol. Its IUPAC name is (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID102481349
Molecular FormulaC37H54N2O2
Molecular Weight558.85 g/mol
Exact Mass558.42
IUPAC Name(4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CO1)C1=N[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CO1
InChIInChI=1S/C37H54N2O2/c1-33(2,3)25-15-23(16-26(19-25)34(4,5)6)29-21-40-31(38-29)37(13,14)32-39-30(22-41-32)24-17-27(35(7,8)9)20-28(18-24)36(10,11)12/h15-20,29-30H,21-22H2,1-14H3/t29-,30-/m1/s1
InChIKeyZSKWAXQQJVVCTG-LOYHVIPDSA-N
XLogP9.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.85
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]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-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 102481349) is (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C1=N[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CO1)C1=N[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CO1.
What is the InChIKey of (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZSKWAXQQJVVCTG-LOYHVIPDSA-N. The full InChI is InChI=1S/C37H54N2O2/c1-33(2,3)25-15-23(16-26(19-25)34(4,5)6)29-21-40-31(38-29)37(13,14)32-39-30(22-41-32)24-17-27(35(7,8)9)20-28(18-24)36(10,11)12/h15-20,29-30H,21-22H2,1-14H3/t29-,30-/m1/s1.
What are the key properties of (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 558.85 g/mol, XLogP of 9.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102481349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).