2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one

C22H21N3O3 — CID 123720883

IUPAC2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one
SMILESO=C1N=C(N2CCC3(CC2)OCc2ncccc23)OC12Cc1ccccc1C2
InChIInChI=1S/C22H21N3O3/c26-19-22(12-15-4-1-2-5-16(15)13-22)28-20(24-19)25-10-7-21(8-11-25)17-6-3-9-23-18(17)14-27-21/h1-6,9H,7-8,10-14H2
InChIKeyVZKOWNKUBGQJCI-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.35
Rot. Bonds

About 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one

2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one (PubChem CID 123720883) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one.

Molecular Properties

Compound Name2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one
PubChem CID123720883
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one
SMILESO=C1N=C(N2CCC3(CC2)OCc2ncccc23)OC12Cc1ccccc1C2
InChIInChI=1S/C22H21N3O3/c26-19-22(12-15-4-1-2-5-16(15)13-22)28-20(24-19)25-10-7-21(8-11-25)17-6-3-9-23-18(17)14-27-21/h1-6,9H,7-8,10-14H2
InChIKeyVZKOWNKUBGQJCI-UHFFFAOYSA-N
XLogP2.35
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2'-(6-methylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)spiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one
CID 118181798
1'-methylspiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]
CID 90842756
8-(hydroxymethyl)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1-oxa-3-azaspiro[4.4]nona-2,7-dien-4-one
CID 118325588
6-methoxy-1'-(4'-oxospiro[1,3-dihydroindene-2,5'-1,3-oxazole]-2'-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 118174284
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one
CID 118174268
5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one
CID 118325614
1'-oxidospiro[7H-furo[3,4-b]pyridine-5,3'-pyrrolidine]
CID 87227698
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 175717906
1'-(2,3-dichloro-4-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57470420
(5Z)-5-[1-(2-methyl-4-pyridinyl)ethylidene]-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one
CID 130377551
1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 154806757

Frequently Asked Questions

What is the IUPAC name of 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one?
The IUPAC name of 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one (CID 123720883) is 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one.
What is the SMILES notation for 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one?
The canonical SMILES for 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one is O=C1N=C(N2CCC3(CC2)OCc2ncccc23)OC12Cc1ccccc1C2.
What is the InChIKey of 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one?
The InChIKey is VZKOWNKUBGQJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-19-22(12-15-4-1-2-5-16(15)13-22)28-20(24-19)25-10-7-21(8-11-25)17-6-3-9-23-18(17)14-27-21/h1-6,9H,7-8,10-14H2.
What are the key properties of 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one?
2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one has a molecular weight of 375.43 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylspiro[1,3-dihydroindene-2,5'-1,3-oxazole]-4'-one is sourced from PubChem (CID 123720883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).