(3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine

C20H25NO2 — CID 10935855

IUPAC(3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine
SMILESCc1ccc([C@H]2C[C@@H](OC(C)(C)C)ON2c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-15-10-12-16(13-11-15)18-14-19(22-20(2,3)4)23-21(18)17-8-6-5-7-9-17/h5-13,18-19H,14H2,1-4H3/t18-,19+/m1/s1
InChIKeyMFSICIWLSDHUAX-MOPGFXCFSA-N
MW311.43 g/mol
LogP5.02
Rot. Bonds3

About (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine

(3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine (PubChem CID 10935855) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine
PubChem CID10935855
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine
SMILESCc1ccc([C@H]2C[C@@H](OC(C)(C)C)ON2c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-15-10-12-16(13-11-15)18-14-19(22-20(2,3)4)23-21(18)17-8-6-5-7-9-17/h5-13,18-19H,14H2,1-4H3/t18-,19+/m1/s1
InChIKeyMFSICIWLSDHUAX-MOPGFXCFSA-N
XLogP5.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine (CID 10935855) is (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine is Cc1ccc([C@H]2C[C@@H](OC(C)(C)C)ON2c2ccccc2)cc1.
What is the InChIKey of (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
The InChIKey is MFSICIWLSDHUAX-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-10-12-16(13-11-15)18-14-19(22-20(2,3)4)23-21(18)17-8-6-5-7-9-17/h5-13,18-19H,14H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
(3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine has a molecular weight of 311.43 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine is sourced from PubChem (CID 10935855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).