5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one

C20H21NO3 — CID 141466755

IUPAC5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
SMILESCC1(C)OC(C=Cc2ccccc2)N(OCc2ccccc2)C1=O
InChIInChI=1S/C20H21NO3/c1-20(2)19(22)21(23-15-17-11-7-4-8-12-17)18(24-20)14-13-16-9-5-3-6-10-16/h3-14,18H,15H2,1-2H3
InChIKeyMHYHVCDQKBTMHW-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.80
Rot. Bonds5

About 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one

5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one (PubChem CID 141466755) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
PubChem CID141466755
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
SMILESCC1(C)OC(C=Cc2ccccc2)N(OCc2ccccc2)C1=O
InChIInChI=1S/C20H21NO3/c1-20(2)19(22)21(23-15-17-11-7-4-8-12-17)18(24-20)14-13-16-9-5-3-6-10-16/h3-14,18H,15H2,1-2H3
InChIKeyMHYHVCDQKBTMHW-UHFFFAOYSA-N
XLogP3.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde
CID 174826555
(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 134919598
(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
CID 131848700
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
CID 154722316
(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid
CID 122515574
(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one
CID 139095446
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
3,3,5,5-tetramethyl-6-(2-phenylethenyl)oxane-2,4-dione
CID 2946381
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
CID 71333879
2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723152

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one?
The IUPAC name of 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one (CID 141466755) is 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one.
What is the SMILES notation for 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one?
The canonical SMILES for 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one is CC1(C)OC(C=Cc2ccccc2)N(OCc2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one?
The InChIKey is MHYHVCDQKBTMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2)19(22)21(23-15-17-11-7-4-8-12-17)18(24-20)14-13-16-9-5-3-6-10-16/h3-14,18H,15H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one?
5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one has a molecular weight of 323.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one is sourced from PubChem (CID 141466755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).