8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C17H19N3O4 — CID 171911256

IUPAC8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C(c1ccoc1)N1CCC2(CC1)CC(Cn1ccnc1)OC2=O
InChIInChI=1S/C17H19N3O4/c21-15(13-1-8-23-11-13)20-5-2-17(3-6-20)9-14(24-16(17)22)10-19-7-4-18-12-19/h1,4,7-8,11-12,14H,2-3,5-6,9-10H2
InChIKeyNQJVWHDOAXGCOK-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.71
Rot. Bonds3

About 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 171911256) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID171911256
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C(c1ccoc1)N1CCC2(CC1)CC(Cn1ccnc1)OC2=O
InChIInChI=1S/C17H19N3O4/c21-15(13-1-8-23-11-13)20-5-2-17(3-6-20)9-14(24-16(17)22)10-19-7-4-18-12-19/h1,4,7-8,11-12,14H,2-3,5-6,9-10H2
InChIKeyNQJVWHDOAXGCOK-UHFFFAOYSA-N
XLogP1.71
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-chloro-5-methoxybenzoyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172662562
3-(imidazol-1-ylmethyl)-8-[3-(trifluoromethyl)pyridine-2-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667255
N-[2-[3-(imidazol-1-ylmethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
CID 172656843
3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172660303
3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669375
8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172672609
8-[2-(2,3-dimethylphenoxy)acetyl]-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667084
3-(imidazol-1-ylmethyl)-8-[4-(4-methoxyphenyl)butanoyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172671913
3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 171915437
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 176504885
3-(benzimidazol-1-ylmethyl)-8-(4-methylbenzoyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 171911990
8-benzoyl-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172663672

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 171911256) is 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is O=C(c1ccoc1)N1CCC2(CC1)CC(Cn1ccnc1)OC2=O.
What is the InChIKey of 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is NQJVWHDOAXGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-15(13-1-8-23-11-13)20-5-2-17(3-6-20)9-14(24-16(17)22)10-19-7-4-18-12-19/h1,4,7-8,11-12,14H,2-3,5-6,9-10H2.
What are the key properties of 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 329.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 171911256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).