ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate

C13H17NO3 — CID 102339698

IUPACethyl 3-benzyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COCN1Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-17-13(15)12-9-16-10-14(12)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeySZUXPPUNSJYPQW-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.41
Rot. Bonds4

About ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate

ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate (PubChem CID 102339698) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-1,3-oxazolidine-4-carboxylate
PubChem CID102339698
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 3-benzyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COCN1Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-17-13(15)12-9-16-10-14(12)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeySZUXPPUNSJYPQW-UHFFFAOYSA-N
XLogP1.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2838690
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N-Benzyl-L-proline ethyl ester
CID 688177
Ethyl 2-[(1-phenylethyl)amino]acetate
CID 6917064
N,N-Dibenzyl-O-(t-butyldimethylsilyl)-L-serine methyl ester
CID 11350497
2-(Benzylmethylamino)ethyl acetoacetate
CID 11776829
N,N-Dibenzyl-L-serine methyl ester
CID 16217031
N-Benzyl-D-proline ethyl ester
CID 688176
Benzyl-(2-hexoxy-2-oxoethyl)-dimethylazanium bromide
CID 137642612

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate (CID 102339698) is ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1COCN1Cc1ccccc1.
What is the InChIKey of ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is SZUXPPUNSJYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-13(15)12-9-16-10-14(12)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate?
ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 102339698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).