2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one

C21H19N3O5 — CID 170350937

IUPAC2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4cc5c(o4)CCNC5=O)c3)no2)C1=O
InChIInChI=1S/C21H19N3O5/c1-24-8-6-21(27,20(24)26)18-11-15(23-29-18)12-3-2-4-13(9-12)17-10-14-16(28-17)5-7-22-19(14)25/h2-4,9-11,27H,5-8H2,1H3,(H,22,25)
InChIKeyLTZJSVJIUCAICZ-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.94
Rot. Bonds3

About 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one

2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one (PubChem CID 170350937) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
PubChem CID170350937
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4cc5c(o4)CCNC5=O)c3)no2)C1=O
InChIInChI=1S/C21H19N3O5/c1-24-8-6-21(27,20(24)26)18-11-15(23-29-18)12-3-2-4-13(9-12)17-10-14-16(28-17)5-7-22-19(14)25/h2-4,9-11,27H,5-8H2,1H3,(H,22,25)
InChIKeyLTZJSVJIUCAICZ-UHFFFAOYSA-N
XLogP1.94
TPSA108.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one (CID 170350937) is 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one is CN1CCC(O)(c2cc(-c3cccc(-c4cc5c(o4)CCNC5=O)c3)no2)C1=O.
What is the InChIKey of 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
The InChIKey is LTZJSVJIUCAICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-24-8-6-21(27,20(24)26)18-11-15(23-29-18)12-3-2-4-13(9-12)17-10-14-16(28-17)5-7-22-19(14)25/h2-4,9-11,27H,5-8H2,1H3,(H,22,25).
What are the key properties of 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one has a molecular weight of 393.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 170350937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).