(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate

C13H17NO5 — CID 3969226

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCOCC2)c(C)o1
InChIInChI=1S/C13H17NO5/c1-9-7-11(10(2)19-9)13(16)18-8-12(15)14-3-5-17-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyRXKDPTGNVGGTGO-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.91
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate

(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate (PubChem CID 3969226) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate
PubChem CID3969226
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCOCC2)c(C)o1
InChIInChI=1S/C13H17NO5/c1-9-7-11(10(2)19-9)13(16)18-8-12(15)14-3-5-17-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyRXKDPTGNVGGTGO-UHFFFAOYSA-N
XLogP0.91
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate with MolForge

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Related Compounds

[2-[4-[2-(2,5-dimethylfuran-3-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531518
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646373
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861804
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2611661
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate
CID 7466290
(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate
CID 40572132
(2-morpholin-4-yl-2-oxoethyl) 3-methyl-2-nitrobenzoate
CID 2612160
(2-morpholin-4-yl-2-oxoethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554196
(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2351220
(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976407

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate (CID 3969226) is (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)N2CCOCC2)c(C)o1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate?
The InChIKey is RXKDPTGNVGGTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9-7-11(10(2)19-9)13(16)18-8-12(15)14-3-5-17-6-4-14/h7H,3-6,8H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 3969226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).