(2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine

C17H18ClNO — CID 817664

IUPAC(2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@H](c2ccccc2)O[C@H](c2ccc(Cl)cc2)N1C
InChIInChI=1S/C17H18ClNO/c1-12-16(13-6-4-3-5-7-13)20-17(19(12)2)14-8-10-15(18)11-9-14/h3-12,16-17H,1-2H3/t12-,16+,17+/m0/s1
InChIKeyZUOVESJYKJYWRI-JCURWCKSSA-N
MW287.79 g/mol
LogP4.43
Rot. Bonds2

About (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine

(2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (PubChem CID 817664) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
PubChem CID817664
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@H](c2ccccc2)O[C@H](c2ccc(Cl)cc2)N1C
InChIInChI=1S/C17H18ClNO/c1-12-16(13-6-4-3-5-7-13)20-17(19(12)2)14-8-10-15(18)11-9-14/h3-12,16-17H,1-2H3/t12-,16+,17+/m0/s1
InChIKeyZUOVESJYKJYWRI-JCURWCKSSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Mecloxamine
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SL 6057
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3-CPMT Hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (CID 817664) is (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is C[C@H]1[C@H](c2ccccc2)O[C@H](c2ccc(Cl)cc2)N1C.
What is the InChIKey of (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The InChIKey is ZUOVESJYKJYWRI-JCURWCKSSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-16(13-6-4-3-5-7-13)20-17(19(12)2)14-8-10-15(18)11-9-14/h3-12,16-17H,1-2H3/t12-,16+,17+/m0/s1.
What are the key properties of (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
(2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine has a molecular weight of 287.79 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-(4-chlorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 817664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).