methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate

C24H21NO5 — CID 101189471

IUPACmethyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1[C@@H](c2ccc(OCc3ccccc3)cc2)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C24H21NO5/c1-28-24(27)25-21(23(26)30-22(25)19-10-6-3-7-11-19)18-12-14-20(15-13-18)29-16-17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1
InChIKeyGEPVJLREARKKJR-VXKWHMMOSA-N
MW403.43 g/mol
LogP4.63
Rot. Bonds5

About methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate

methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 101189471) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
PubChem CID101189471
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Namemethyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1[C@@H](c2ccc(OCc3ccccc3)cc2)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C24H21NO5/c1-28-24(27)25-21(23(26)30-22(25)19-10-6-3-7-11-19)18-12-14-20(15-13-18)29-16-17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1
InChIKeyGEPVJLREARKKJR-VXKWHMMOSA-N
XLogP4.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,4R)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
CID 10644848
(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 24993379
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
benzyl (2S,4S)-4-(iodomethyl)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 156678944
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656
dimethyl 4-hydroxy-4-methyl-6-oxo-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate
CID 3727388
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11808654
(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450
1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576993

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate (CID 101189471) is methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate is COC(=O)N1[C@@H](c2ccc(OCc3ccccc3)cc2)C(=O)O[C@H]1c1ccccc1.
What is the InChIKey of methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is GEPVJLREARKKJR-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H21NO5/c1-28-24(27)25-21(23(26)30-22(25)19-10-6-3-7-11-19)18-12-14-20(15-13-18)29-16-17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1.
What are the key properties of methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate?
methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101189471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).