[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate

C18H17NO6 — CID 7468734

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C18H17NO6/c20-16-7-4-10-19(16)17(21)12-24-18(22)15-9-8-14(25-15)11-23-13-5-2-1-3-6-13/h1-3,5-6,8-9H,4,7,10-12H2
InChIKeyRQDQGKOSDCLSHU-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.16
Rot. Bonds6

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7468734) has the molecular formula C18H17NO6 and a molecular weight of 343.33 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7468734
Molecular FormulaC18H17NO6
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C18H17NO6/c20-16-7-4-10-19(16)17(21)12-24-18(22)15-9-8-14(25-15)11-23-13-5-2-1-3-6-13/h1-3,5-6,8-9H,4,7,10-12H2
InChIKeyRQDQGKOSDCLSHU-UHFFFAOYSA-N
XLogP2.16
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468721
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468729
N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9187490
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2627836
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8511107
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 11918315
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
CID 43066677
[2-(3-fluoroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468702

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 7468734) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate is O=C(OCC(=O)N1CCCC1=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is RQDQGKOSDCLSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c20-16-7-4-10-19(16)17(21)12-24-18(22)15-9-8-14(25-15)11-23-13-5-2-1-3-6-13/h1-3,5-6,8-9H,4,7,10-12H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 343.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7468734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).