ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate

C13H15NO5 — CID 11230866

IUPACethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@H]1OC(=O)N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO5/c1-3-18-12(15)11-10(14-13(16)19-11)8-4-6-9(17-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyVDPPXDXPTAGQEN-MNOVXSKESA-N
MW265.26 g/mol
LogP1.41
Rot. Bonds4

About ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate

ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate (PubChem CID 11230866) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
PubChem CID11230866
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@H]1OC(=O)N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO5/c1-3-18-12(15)11-10(14-13(16)19-11)8-4-6-9(17-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyVDPPXDXPTAGQEN-MNOVXSKESA-N
XLogP1.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4S,5S)-4-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 101256670
ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842665
3-O,4-O-diethyl 2-O-methyl (2S,5R)-5-(4-methoxyphenyl)pyrrolidine-2,3,4-tricarboxylate
CID 132559108
ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762859
(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129312530
ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
CID 118700652
ethyl (2R,3S,4S)-4-(3,4-difluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 10713605
3-O-tert-butyl 5-O-ethyl (4S,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 54520838
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate
CID 57222590
ethyl (4E,5R,6S)-4-(benzylsulfanylmethylidene)-6-(4-methoxyphenyl)-2-oxo-1,3-diazinane-5-carboxylate
CID 2238194

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate (CID 11230866) is ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate is CCOC(=O)[C@H]1OC(=O)N[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is VDPPXDXPTAGQEN-MNOVXSKESA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-18-12(15)11-10(14-13(16)19-11)8-4-6-9(17-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 11230866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).