(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C17H25NO4 — CID 97418005

IUPAC(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)CO1
InChIInChI=1S/C17H25NO4/c1-12-8-15(13(2)22-12)16(19)18-6-4-17(5-7-18)9-14(10-20-3)21-11-17/h8,14H,4-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyWJBKRWMHSBWFNT-CQSZACIVSA-N
MW307.39 g/mol
LogP2.55
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97418005) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97418005
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)CO1
InChIInChI=1S/C17H25NO4/c1-12-8-15(13(2)22-12)16(19)18-6-4-17(5-7-18)9-14(10-20-3)21-11-17/h8,14H,4-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyWJBKRWMHSBWFNT-CQSZACIVSA-N
XLogP2.55
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418059
(2-chloro-5-methoxyphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418084
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418003
[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylindol-3-yl)methanone
CID 131650279
1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476246
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97485383
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
8-(2,5-dimethylfuran-3-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191551
[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418040

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97418005) is (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is COC[C@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)CO1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is WJBKRWMHSBWFNT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12-8-15(13(2)22-12)16(19)18-6-4-17(5-7-18)9-14(10-20-3)21-11-17/h8,14H,4-7,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 307.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97418005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).