1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C20H16N2O5 — CID 90618099

IUPAC1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cc(-c4ccco4)on3)CC2)c2ccccc21
InChIInChI=1S/C20H16N2O5/c23-18(15-12-17(27-21-15)16-6-3-11-25-16)22-9-7-20(8-10-22)14-5-2-1-4-13(14)19(24)26-20/h1-6,11-12H,7-10H2
InChIKeyMCPOCNAITGCSAT-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.24
Rot. Bonds2

About 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90618099) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90618099
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cc(-c4ccco4)on3)CC2)c2ccccc21
InChIInChI=1S/C20H16N2O5/c23-18(15-12-17(27-21-15)16-6-3-11-25-16)22-9-7-20(8-10-22)14-5-2-1-4-13(14)19(24)26-20/h1-6,11-12H,7-10H2
InChIKeyMCPOCNAITGCSAT-UHFFFAOYSA-N
XLogP3.24
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one with MolForge

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565526
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 110328710
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90537302

Frequently Asked Questions

What is the IUPAC name of 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90618099) is 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3cc(-c4ccco4)on3)CC2)c2ccccc21.
What is the InChIKey of 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is MCPOCNAITGCSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-18(15-12-17(27-21-15)16-6-3-11-25-16)22-9-7-20(8-10-22)14-5-2-1-4-13(14)19(24)26-20/h1-6,11-12H,7-10H2.
What are the key properties of 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 364.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90618099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).