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

C19H19NO — CID 929245

IUPAC(2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine
SMILESC[C@H]1[C@H](c2ccccc2)O[C@@H](C#Cc2ccccc2)N1C
InChIInChI=1S/C19H19NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,1-2H3/t15-,18-,19+/m0/s1
InChIKeyYIEKZEKWISFCPM-ZYSHUDEJSA-N
MW277.37 g/mol
LogP3.46
Rot. Bonds1

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

(2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine (PubChem CID 929245) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine
PubChem CID929245
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine
SMILESC[C@H]1[C@H](c2ccccc2)O[C@@H](C#Cc2ccccc2)N1C
InChIInChI=1S/C19H19NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,1-2H3/t15-,18-,19+/m0/s1
InChIKeyYIEKZEKWISFCPM-ZYSHUDEJSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Bontril
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Ethybenztropine
CID 20055089
Emetonium iodide
CID 80084
Difeterol
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3,4-Dimethyl-5-phenyl-1,3-oxazolidine
CID 434666
3-(Diphenylmethoxy)-8-methyl-8-azabicyclo(3.2.1)octane
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CID 3024524

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine?
The IUPAC name of (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine (CID 929245) is (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine.
What is the SMILES notation for (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine?
The canonical SMILES for (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine is C[C@H]1[C@H](c2ccccc2)O[C@@H](C#Cc2ccccc2)N1C.
What is the InChIKey of (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine?
The InChIKey is YIEKZEKWISFCPM-ZYSHUDEJSA-N. The full InChI is InChI=1S/C19H19NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,1-2H3/t15-,18-,19+/m0/s1.
What are the key properties of (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine?
(2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine has a molecular weight of 277.37 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine is sourced from PubChem (CID 929245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).