3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

C12H12N2O4 — CID 175964612

IUPAC3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3ccco3)no2)C1=O
InChIInChI=1S/C12H12N2O4/c1-14-5-4-12(16,11(14)15)10-7-8(13-18-10)9-3-2-6-17-9/h2-3,6-7,16H,4-5H2,1H3
InChIKeyVKDUVCNMKCFXIN-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.98
Rot. Bonds2

About 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 175964612) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID175964612
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3ccco3)no2)C1=O
InChIInChI=1S/C12H12N2O4/c1-14-5-4-12(16,11(14)15)10-7-8(13-18-10)9-3-2-6-17-9/h2-3,6-7,16H,4-5H2,1H3
InChIKeyVKDUVCNMKCFXIN-UHFFFAOYSA-N
XLogP0.98
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567
6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid
CID 170350528
3-[3-(3-bromo-4-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350588
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
CID 170575198
1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
CID 175964559
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-methylpyridine-2-carboxamide
CID 170575200
(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 175964542
(3R)-3-hydroxy-3-[3-[4-methoxy-6-(2-methylsulfanylpyrimidin-4-yl)-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170326198
3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263167
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380706
(3R)-3-hydroxy-1-methyl-3-[3-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170575074
3-hydroxy-1-methyl-3-[3-[6-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326335

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 175964612) is 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(c2cc(-c3ccco3)no2)C1=O.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is VKDUVCNMKCFXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14-5-4-12(16,11(14)15)10-7-8(13-18-10)9-3-2-6-17-9/h2-3,6-7,16H,4-5H2,1H3.
What are the key properties of 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 248.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 175964612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).