(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C25H25NO — CID 138551056

IUPAC(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C25H25NO/c1-25(2,3)20-15-13-18(14-16-20)21-11-7-8-12-22(21)24-26-23(17-27-24)19-9-5-4-6-10-19/h4-16,23H,17H2,1-3H3/t23-/m1/s1
InChIKeyVYXMQVPYJJRSFZ-HSZRJFAPSA-N
MW355.48 g/mol
LogP6.17
Rot. Bonds3

About (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 138551056) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID138551056
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C25H25NO/c1-25(2,3)20-15-13-18(14-16-20)21-11-7-8-12-22(21)24-26-23(17-27-24)19-9-5-4-6-10-19/h4-16,23H,17H2,1-3H3/t23-/m1/s1
InChIKeyVYXMQVPYJJRSFZ-HSZRJFAPSA-N
XLogP6.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 138551056) is (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccc(-c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is VYXMQVPYJJRSFZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25NO/c1-25(2,3)20-15-13-18(14-16-20)21-11-7-8-12-22(21)24-26-23(17-27-24)19-9-5-4-6-10-19/h4-16,23H,17H2,1-3H3/t23-/m1/s1.
What are the key properties of (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 355.48 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 138551056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).