(3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine

C20H25NO — CID 134985153

IUPAC(3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine
SMILESCC(C)(C)N1O[C@](C)(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO/c1-19(2,3)21-18(16-11-7-5-8-12-16)15-20(4,22-21)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3/t18-,20+/m1/s1
InChIKeyDQOBIBFZPISIEU-QUCCMNQESA-N
MW295.43 g/mol
LogP5.08
Rot. Bonds2

About (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine

(3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine (PubChem CID 134985153) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine
PubChem CID134985153
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine
SMILESCC(C)(C)N1O[C@](C)(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO/c1-19(2,3)21-18(16-11-7-5-8-12-16)15-20(4,22-21)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3/t18-,20+/m1/s1
InChIKeyDQOBIBFZPISIEU-QUCCMNQESA-N
XLogP5.08
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 ≤ 55.08
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-methyl-3,5-diphenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine (CID 134985153) is (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine is CC(C)(C)N1O[C@](C)(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine?
The InChIKey is DQOBIBFZPISIEU-QUCCMNQESA-N. The full InChI is InChI=1S/C20H25NO/c1-19(2,3)21-18(16-11-7-5-8-12-16)15-20(4,22-21)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3/t18-,20+/m1/s1.
What are the key properties of (3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine?
(3R,5S)-2-tert-butyl-5-methyl-3,5-diphenyl-1,2-oxazolidine has a molecular weight of 295.43 g/mol, XLogP of 5.08, 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-methyl-3,5-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 134985153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).