ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate

C15H19NO5 — CID 71503814

IUPACethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(OC(C)=O)ON1Cc1ccccc1
InChIInChI=1S/C15H19NO5/c1-3-19-15(18)13-9-14(20-11(2)17)21-16(13)10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyWNUCIMDQBRYUCD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.64
Rot. Bonds5

About ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate

ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate (PubChem CID 71503814) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate
PubChem CID71503814
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(OC(C)=O)ON1Cc1ccccc1
InChIInChI=1S/C15H19NO5/c1-3-19-15(18)13-9-14(20-11(2)17)21-16(13)10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyWNUCIMDQBRYUCD-UHFFFAOYSA-N
XLogP1.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 134899183
Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 129749440
ethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10660312
ethyl (3S,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10660313
tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10733533
ethyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10779047
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-one
CID 10901884
ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10912885
[(3R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 10958212
methyl (3R)-3-[benzyl(hydroxy)amino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11130667
[(3S,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 11370661
[(3R,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 11404453

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate (CID 71503814) is ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate is CCOC(=O)C1CC(OC(C)=O)ON1Cc1ccccc1.
What is the InChIKey of ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is WNUCIMDQBRYUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-19-15(18)13-9-14(20-11(2)17)21-16(13)10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3.
What are the key properties of ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate?
ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyloxy-2-benzyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 71503814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).