ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate

C15H21NO4 — CID 10912885

IUPACethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@](C)(OC)ON1Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-4-19-14(17)13-10-15(2,18-3)20-16(13)11-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyAFYAPDDJOCENOM-HIFRSBDPSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds5

About ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate

ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate (PubChem CID 10912885) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
PubChem CID10912885
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@](C)(OC)ON1Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-4-19-14(17)13-10-15(2,18-3)20-16(13)11-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyAFYAPDDJOCENOM-HIFRSBDPSA-N
XLogP2.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate (CID 10912885) is ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate is CCOC(=O)[C@H]1C[C@@](C)(OC)ON1Cc1ccccc1.
What is the InChIKey of ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is AFYAPDDJOCENOM-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-19-14(17)13-10-15(2,18-3)20-16(13)11-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate?
ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 10912885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).