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

C19H22ClNO2 — CID 100968169

IUPAC(3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine
SMILESCC(C)(C)O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1
InChIInChI=1S/C19H22ClNO2/c1-19(2,3)22-18-13-17(14-9-11-15(20)12-10-14)21(23-18)16-7-5-4-6-8-16/h4-12,17-18H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyNRJGXHCILWJVRG-MSOLQXFVSA-N
MW331.84 g/mol
LogP5.36
Rot. Bonds3

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

(3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine (PubChem CID 100968169) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine
PubChem CID100968169
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine
SMILESCC(C)(C)O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1
InChIInChI=1S/C19H22ClNO2/c1-19(2,3)22-18-13-17(14-9-11-15(20)12-10-14)21(23-18)16-7-5-4-6-8-16/h4-12,17-18H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyNRJGXHCILWJVRG-MSOLQXFVSA-N
XLogP5.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.36
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-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine (CID 100968169) is (3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine is CC(C)(C)O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
The InChIKey is NRJGXHCILWJVRG-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-19(2,3)22-18-13-17(14-9-11-15(20)12-10-14)21(23-18)16-7-5-4-6-8-16/h4-12,17-18H,13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine?
(3R,5S)-3-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine has a molecular weight of 331.84 g/mol, XLogP of 5.36, 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-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2-oxazolidine is sourced from PubChem (CID 100968169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).