(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole

C49H46N2O2 — CID 66632300

IUPAC(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole
SMILESCc1ccc(C2(c3ccc(C)cc3)OC(C(C)(C)C3=N[C@H](c4ccccc4)C(c4ccc(C)cc4)(c4ccc(C)cc4)O3)=N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C49H46N2O2/c1-33-17-25-39(26-18-33)48(40-27-19-34(2)20-28-40)43(37-13-9-7-10-14-37)50-45(52-48)47(5,6)46-51-44(38-15-11-8-12-16-38)49(53-46,41-29-21-35(3)22-30-41)42-31-23-36(4)24-32-42/h7-32,43-44H,1-6H3/t43-,44-/m1/s1
InChIKeyPYAZGALCPRPKJM-NDOUMJCMSA-N
MW694.92 g/mol
LogP11.47
Rot. Bonds8

About (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole

(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole (PubChem CID 66632300) has the molecular formula C49H46N2O2 and a molecular weight of 694.92 g/mol. Its IUPAC name is (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole
PubChem CID66632300
Molecular FormulaC49H46N2O2
Molecular Weight694.92 g/mol
Exact Mass694.36
IUPAC Name(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole
SMILESCc1ccc(C2(c3ccc(C)cc3)OC(C(C)(C)C3=N[C@H](c4ccccc4)C(c4ccc(C)cc4)(c4ccc(C)cc4)O3)=N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C49H46N2O2/c1-33-17-25-39(26-18-33)48(40-27-19-34(2)20-28-40)43(37-13-9-7-10-14-37)50-45(52-48)47(5,6)46-51-44(38-15-11-8-12-16-38)49(53-46,41-29-21-35(3)22-30-41)42-31-23-36(4)24-32-42/h7-32,43-44H,1-6H3/t43-,44-/m1/s1
InChIKeyPYAZGALCPRPKJM-NDOUMJCMSA-N
XLogP11.47
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole?
The IUPAC name of (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole (CID 66632300) is (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole?
The canonical SMILES for (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole is Cc1ccc(C2(c3ccc(C)cc3)OC(C(C)(C)C3=N[C@H](c4ccccc4)C(c4ccc(C)cc4)(c4ccc(C)cc4)O3)=N[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole?
The InChIKey is PYAZGALCPRPKJM-NDOUMJCMSA-N. The full InChI is InChI=1S/C49H46N2O2/c1-33-17-25-39(26-18-33)48(40-27-19-34(2)20-28-40)43(37-13-9-7-10-14-37)50-45(52-48)47(5,6)46-51-44(38-15-11-8-12-16-38)49(53-46,41-29-21-35(3)22-30-41)42-31-23-36(4)24-32-42/h7-32,43-44H,1-6H3/t43-,44-/m1/s1.
What are the key properties of (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole?
(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole has a molecular weight of 694.92 g/mol, XLogP of 11.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 66632300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).