ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

C16H23NO4 — CID 11077224

IUPACethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1[C@@H]([C@H](O)C(C)C)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)17-13(12-8-6-5-7-9-12)10-21-15(17)14(18)11(2)3/h5-9,11,13-15,18H,4,10H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyIWCJNRXLQQOROP-RRFJBIMHSA-N
MW293.36 g/mol
LogP2.56
Rot. Bonds4

About ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11077224) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID11077224
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1[C@@H]([C@H](O)C(C)C)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)17-13(12-8-6-5-7-9-12)10-21-15(17)14(18)11(2)3/h5-9,11,13-15,18H,4,10H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyIWCJNRXLQQOROP-RRFJBIMHSA-N
XLogP2.56
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 10620767
ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71613650
ethyl 3-oxo-3-[(2R,4R)-4-phenyl-2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-3-yl]propanoate
CID 11058025
tert-butyl (3S)-2-[(4S)-2-benzhydryl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-4-methylpentanoate
CID 59065921
ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate
CID 71614429
benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11330588
tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15445289
2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone
CID 164604037
ethyl 2-[(3S,5S,7aR)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazol-5-yl]acetate
CID 10731104
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 11077224) is ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)N1[C@@H]([C@H](O)C(C)C)OC[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is IWCJNRXLQQOROP-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-16(19)17-13(12-8-6-5-7-9-12)10-21-15(17)14(18)11(2)3/h5-9,11,13-15,18H,4,10H2,1-3H3/t13-,14+,15+/m0/s1.
What are the key properties of ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11077224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).