3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine

C17H19NO — CID 11436708

IUPAC3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
SMILESCC1(c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-17(16-10-6-3-7-11-16)18(12-13-19-17)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyPAELRWAWUMHXAM-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.39
Rot. Bonds3

About 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine

3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine (PubChem CID 11436708) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
PubChem CID11436708
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
SMILESCC1(c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-17(16-10-6-3-7-11-16)18(12-13-19-17)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyPAELRWAWUMHXAM-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Bontril
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Emetonium iodide
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1H,3H,5H-Oxazolo(3,4-c)oxazole-7a(7H)-methanol, 3,5-diphenyl-
CID 96863
3,4-Dimethyl-5-phenyl-1,3-oxazolidine
CID 434666
(3,5-Di-p-tolyl-oxazolo[3,4-c]oxazol-7a-yl)-methanol
CID 626288
Pyrrolidine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, hydrochloride
CID 3024524
Pyrrolidine, 1-(2-(1,1-bis(4-fluorophenyl)ethoxy)ethyl)-, hydrochloride
CID 3024531
Ethylbenzhydramine
CID 12552

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
The IUPAC name of 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine (CID 11436708) is 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine is CC1(c2ccccc2)OCCN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
The InChIKey is PAELRWAWUMHXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(16-10-6-3-7-11-16)18(12-13-19-17)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3.
What are the key properties of 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine has a molecular weight of 253.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 11436708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).