2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine

C20H22BrNO2 — CID 151925220

IUPAC2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine
SMILESCC1(C)CNC(OCc2ccccc2)(C(Br)=Cc2ccccc2)O1
InChIInChI=1S/C20H22BrNO2/c1-19(2)15-22-20(24-19,23-14-17-11-7-4-8-12-17)18(21)13-16-9-5-3-6-10-16/h3-13,22H,14-15H2,1-2H3
InChIKeySXPLUILGYZZXFD-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.69
Rot. Bonds5

About 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine

2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine (PubChem CID 151925220) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine.

Molecular Properties

Compound Name2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine
PubChem CID151925220
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine
SMILESCC1(C)CNC(OCc2ccccc2)(C(Br)=Cc2ccccc2)O1
InChIInChI=1S/C20H22BrNO2/c1-19(2)15-22-20(24-19,23-14-17-11-7-4-8-12-17)18(21)13-16-9-5-3-6-10-16/h3-13,22H,14-15H2,1-2H3
InChIKeySXPLUILGYZZXFD-UHFFFAOYSA-N
XLogP4.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-2,5,5-trimethyl-1,3-oxazolidine
CID 117228986
(3S)-5,5-dimethyl-3-phenylmethoxyoxolane-3-carbonyl chloride
CID 125490844
(2S,3S)-1,5-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 101060938
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
2-benzyl-2,6,6-trimethylmorpholine
CID 65126692
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
3-methyl-3-(phenylmethoxymethoxy)azetidine
CID 106938741
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
(2-bromo-2-methylsulfanylethenyl)benzene
CID 71358341
[(E)-2-bromobut-1-enyl]benzene
CID 15418577
[(E)-2-bromo-2-methylsulfanylethenyl]benzene
CID 11770236
5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane
CID 21397275

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine?
The IUPAC name of 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine (CID 151925220) is 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine.
What is the SMILES notation for 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine?
The canonical SMILES for 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine is CC1(C)CNC(OCc2ccccc2)(C(Br)=Cc2ccccc2)O1.
What is the InChIKey of 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine?
The InChIKey is SXPLUILGYZZXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c1-19(2)15-22-20(24-19,23-14-17-11-7-4-8-12-17)18(21)13-16-9-5-3-6-10-16/h3-13,22H,14-15H2,1-2H3.
What are the key properties of 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine?
2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine has a molecular weight of 388.31 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-phenylethenyl)-5,5-dimethyl-2-phenylmethoxy-1,3-oxazolidine is sourced from PubChem (CID 151925220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).