ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate

C10H17NO4 — CID 139842666

IUPACethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCCCC1OC(=O)NC1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-3-5-6-7-8(9(12)14-4-2)11-10(13)15-7/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyQSXWFLVTALFTSZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.22
Rot. Bonds5

About ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 139842666) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID139842666
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCCCC1OC(=O)NC1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-3-5-6-7-8(9(12)14-4-2)11-10(13)15-7/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyQSXWFLVTALFTSZ-UHFFFAOYSA-N
XLogP1.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-5-butyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 175653837
ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 131104163
(4S,5R)-5-heptyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 15698621
(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 14310923
ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842665
(4R,5S)-4-butyl-5-(chloromethyl)-1,3-oxazolidin-2-one
CID 15531680
ethyl 5-[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]pentanoate
CID 57222590
ethyl (2R,3S)-3-ethyl-4-oxoazetidine-2-carboxylate
CID 135039952
ethyl 2-[(4R,5S)-5-(chloromethyl)-2-oxo-1,3-oxazolidin-4-yl]acetate
CID 101119790
(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one
CID 10797671
ethyl (1S,3R,5S,6S)-3-butyl-4-oxo-2-oxabicyclo[3.1.0]hexane-6-carboxylate
CID 56850176
ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate
CID 135040506

Frequently Asked Questions

What is the IUPAC name of ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 139842666) is ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate is CCCCC1OC(=O)NC1C(=O)OCC.
What is the InChIKey of ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is QSXWFLVTALFTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-5-6-7-8(9(12)14-4-2)11-10(13)15-7/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139842666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).