5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one

C20H26N2O3 — CID 118325614

IUPAC5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one
SMILESCCCCC1(C)OC(N2CCC3(CC2)OCc2ccccc23)=NC1=O
InChIInChI=1S/C20H26N2O3/c1-3-4-9-19(2)17(23)21-18(25-19)22-12-10-20(11-13-22)16-8-6-5-7-15(16)14-24-20/h5-8H,3-4,9-14H2,1-2H3
InChIKeyFZFKBHJBGWQJGO-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.37
Rot. Bonds3

About 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one

5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one (PubChem CID 118325614) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one
PubChem CID118325614
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one
SMILESCCCCC1(C)OC(N2CCC3(CC2)OCc2ccccc23)=NC1=O
InChIInChI=1S/C20H26N2O3/c1-3-4-9-19(2)17(23)21-18(25-19)22-12-10-20(11-13-22)16-8-6-5-7-15(16)14-24-20/h5-8H,3-4,9-14H2,1-2H3
InChIKeyFZFKBHJBGWQJGO-UHFFFAOYSA-N
XLogP3.37
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one
CID 118174268
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
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
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
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'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
(5Z)-5-(1-methoxypropan-2-ylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one
CID 130377542
(3S)-1'-(4-ethylsulfonylphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 100665673
1'-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 154743570
1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 154806757
(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

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one?
The IUPAC name of 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one (CID 118325614) is 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one.
What is the SMILES notation for 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one?
The canonical SMILES for 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one is CCCCC1(C)OC(N2CCC3(CC2)OCc2ccccc23)=NC1=O.
What is the InChIKey of 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one?
The InChIKey is FZFKBHJBGWQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-4-9-19(2)17(23)21-18(25-19)22-12-10-20(11-13-22)16-8-6-5-7-15(16)14-24-20/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one?
5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one has a molecular weight of 342.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one is sourced from PubChem (CID 118325614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).