2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol

C22H29NO3 — CID 54082836

IUPAC2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol
SMILESCC(C)(C)N1CC(COc2ccc(CCO)cc2)O[C@H]1c1ccccc1
InChIInChI=1S/C22H29NO3/c1-22(2,3)23-15-20(26-21(23)18-7-5-4-6-8-18)16-25-19-11-9-17(10-12-19)13-14-24/h4-12,20-21,24H,13-16H2,1-3H3/t20?,21-/m0/s1
InChIKeyMOIAWEKKUVNPEQ-LBAQZLPGSA-N
MW355.48 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol

2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol (PubChem CID 54082836) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol
PubChem CID54082836
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol
SMILESCC(C)(C)N1CC(COc2ccc(CCO)cc2)O[C@H]1c1ccccc1
InChIInChI=1S/C22H29NO3/c1-22(2,3)23-15-20(26-21(23)18-7-5-4-6-8-18)16-25-19-11-9-17(10-12-19)13-14-24/h4-12,20-21,24H,13-16H2,1-3H3/t20?,21-/m0/s1
InChIKeyMOIAWEKKUVNPEQ-LBAQZLPGSA-N
XLogP3.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol (CID 54082836) is 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol is CC(C)(C)N1CC(COc2ccc(CCO)cc2)O[C@H]1c1ccccc1.
What is the InChIKey of 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol?
The InChIKey is MOIAWEKKUVNPEQ-LBAQZLPGSA-N. The full InChI is InChI=1S/C22H29NO3/c1-22(2,3)23-15-20(26-21(23)18-7-5-4-6-8-18)16-25-19-11-9-17(10-12-19)13-14-24/h4-12,20-21,24H,13-16H2,1-3H3/t20?,21-/m0/s1.
What are the key properties of 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol?
2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol has a molecular weight of 355.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 54082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).