(3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine

C20H25NO — CID 134985643

IUPAC(3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
SMILESCc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(C)(C)C)O2)cc1
InChIInChI=1S/C20H25NO/c1-15-10-12-17(13-11-15)19-14-18(16-8-6-5-7-9-16)21(22-19)20(2,3)4/h5-13,18-19H,14H2,1-4H3/t18-,19+/m1/s1
InChIKeyVOSHYNYKQZCCED-MOPGFXCFSA-N
MW295.43 g/mol
LogP5.21
Rot. Bonds2

About (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine

(3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine (PubChem CID 134985643) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
PubChem CID134985643
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
SMILESCc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(C)(C)C)O2)cc1
InChIInChI=1S/C20H25NO/c1-15-10-12-17(13-11-15)19-14-18(16-8-6-5-7-9-16)21(22-19)20(2,3)4/h5-13,18-19H,14H2,1-4H3/t18-,19+/m1/s1
InChIKeyVOSHYNYKQZCCED-MOPGFXCFSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine (CID 134985643) is (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine is Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(C)(C)C)O2)cc1.
What is the InChIKey of (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
The InChIKey is VOSHYNYKQZCCED-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-10-12-17(13-11-15)19-14-18(16-8-6-5-7-9-16)21(22-19)20(2,3)4/h5-13,18-19H,14H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
(3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine has a molecular weight of 295.43 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2-tert-butyl-5-(4-methylphenyl)-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 134985643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).