3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine

C23H23NO2 — CID 15203615

IUPAC3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine
SMILESCC1(C)N(O)C(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-22(2)23(19-14-8-4-9-15-19,20-16-10-5-11-17-20)26-21(24(22)25)18-12-6-3-7-13-18/h3-17,21,25H,1-2H3
InChIKeyWXUMWBQUPZAKSB-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.13
Rot. Bonds3

About 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine

3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine (PubChem CID 15203615) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine
PubChem CID15203615
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine
SMILESCC1(C)N(O)C(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-22(2)23(19-14-8-4-9-15-19,20-16-10-5-11-17-20)26-21(24(22)25)18-12-6-3-7-13-18/h3-17,21,25H,1-2H3
InChIKeyWXUMWBQUPZAKSB-UHFFFAOYSA-N
XLogP5.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
Pyrrolidine, 1-benzyl-3-(diphenylmethoxy)-, perchlorate
CID 3025249
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
4-Benzyl-2,2-dimethyl-6,6-diphenylmorpholine;hydrochloride
CID 12283002
(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine
CID 6712808
1-Benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine
CID 67402272
Pyrrolidine, 3-(phenylmethoxy)-2-(phenylmethoxy)methyl-1-(phenylmethyl)-, (2R,3S)-
CID 90471286
Oxazolidine, 2-(4-fluorophenyl)-3,4-dimethyl-5-phenyl-, (2R,4S,5S)-
CID 12192955
(2S,4S,5S)-2-(4-fluorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 12192956
N-tert-butyl-N-[[(2S)-2-phenyloxiran-2-yl]-[4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 135078232
(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
CID 134925492
3-Benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 11436708

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine?
The IUPAC name of 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine (CID 15203615) is 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine.
What is the SMILES notation for 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine?
The canonical SMILES for 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine is CC1(C)N(O)C(c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine?
The InChIKey is WXUMWBQUPZAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-22(2)23(19-14-8-4-9-15-19,20-16-10-5-11-17-20)26-21(24(22)25)18-12-6-3-7-13-18/h3-17,21,25H,1-2H3.
What are the key properties of 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine?
3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine has a molecular weight of 345.44 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-dimethyl-2,5,5-triphenyl-1,3-oxazolidine is sourced from PubChem (CID 15203615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).