[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone

C21H20N2O4 — CID 90565526

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H20N2O4/c24-20(16-14-19(27-22-16)18-6-3-13-25-18)23-11-9-21(10-12-23)8-7-15-4-1-2-5-17(15)26-21/h1-6,13-14H,7-12H2
InChIKeyKEJWDFHRAKOBPF-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.93
Rot. Bonds2

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 90565526) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
PubChem CID90565526
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H20N2O4/c24-20(16-14-19(27-22-16)18-6-3-13-25-18)23-11-9-21(10-12-23)8-7-15-4-1-2-5-17(15)26-21/h1-6,13-14H,7-12H2
InChIKeyKEJWDFHRAKOBPF-UHFFFAOYSA-N
XLogP3.93
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (CID 90565526) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is O=C(c1cc(-c2ccco2)on1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is KEJWDFHRAKOBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20(16-14-19(27-22-16)18-6-3-13-25-18)23-11-9-21(10-12-23)8-7-15-4-1-2-5-17(15)26-21/h1-6,13-14H,7-12H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 364.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 90565526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).