ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate

C20H23NO3 — CID 101100107

IUPACethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1OC(C)(C)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H23NO3/c1-4-23-19(22)18-17(15-11-7-5-8-12-15)21(20(2,3)24-18)16-13-9-6-10-14-16/h5-14,17-18H,4H2,1-3H3
InChIKeyZIHUQVOCRNLYTO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.93
Rot. Bonds4

About ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate

ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate (PubChem CID 101100107) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
PubChem CID101100107
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1OC(C)(C)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H23NO3/c1-4-23-19(22)18-17(15-11-7-5-8-12-15)21(20(2,3)24-18)16-13-9-6-10-14-16/h5-14,17-18H,4H2,1-3H3
InChIKeyZIHUQVOCRNLYTO-UHFFFAOYSA-N
XLogP3.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,2-dimethyl-3-(4-nitrophenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
CID 101100110
ethyl (4R,5R)-3-(4-methoxyphenyl)-2,2-dimethyl-4-(4-nitrophenyl)-1,3-oxazolidine-5-carboxylate
CID 11211739
ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 10563681
ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
CID 102320644
ethyl (2S,3R)-1-methyl-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 6997580
ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
3-O-tert-butyl 5-O-ethyl (4S,5R)-2,2-dimethyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3,5-dicarboxylate
CID 11102496
(2,2-dimethyl-3,5-diphenyl-1,3-oxazolidin-4-yl)methanol
CID 123241141
ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800
3-O-tert-butyl 5-O-ethyl (4S,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 54520838
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
3-O-tert-butyl 5-O-ethyl (4S,5R)-4-(2-fluorophenyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 54365105

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate (CID 101100107) is ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate is CCOC(=O)C1OC(C)(C)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
The InChIKey is ZIHUQVOCRNLYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-23-19(22)18-17(15-11-7-5-8-12-15)21(20(2,3)24-18)16-13-9-6-10-14-16/h5-14,17-18H,4H2,1-3H3.
What are the key properties of ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 101100107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).