5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one

C18H19N3O4 — CID 66612504

IUPAC5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)N1
InChIInChI=1S/C18H19N3O4/c22-16-7-6-14(19-16)18(23)21-9-8-13-15(10-21)25-17(20-13)11-24-12-4-2-1-3-5-12/h1-5,14H,6-11H2,(H,19,22)
InChIKeyGNFHDHRDFNGAJG-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.42
Rot. Bonds4

About 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one

5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one (PubChem CID 66612504) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one
PubChem CID66612504
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)N1
InChIInChI=1S/C18H19N3O4/c22-16-7-6-14(19-16)18(23)21-9-8-13-15(10-21)25-17(20-13)11-24-12-4-2-1-3-5-12/h1-5,14H,6-11H2,(H,19,22)
InChIKeyGNFHDHRDFNGAJG-UHFFFAOYSA-N
XLogP1.42
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one (CID 66612504) is 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)N1.
What is the InChIKey of 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one?
The InChIKey is GNFHDHRDFNGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16-7-6-14(19-16)18(23)21-9-8-13-15(10-21)25-17(20-13)11-24-12-4-2-1-3-5-12/h1-5,14H,6-11H2,(H,19,22).
What are the key properties of 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one?
5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one has a molecular weight of 341.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 66612504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).