[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate

C22H29N3O5 — CID 3870853

IUPAC[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)o1
InChIInChI=1S/C22H29N3O5/c1-15-20(16(2)30-23-15)21(27)25-10-7-22(8-11-25)6-9-24(14-22)12-18-4-5-19(29-18)13-28-17(3)26/h4-5H,6-14H2,1-3H3
InChIKeyHTOQZUIGWUGSDQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.08
Rot. Bonds5

About [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate

[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate (PubChem CID 3870853) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate
PubChem CID3870853
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)o1
InChIInChI=1S/C22H29N3O5/c1-15-20(16(2)30-23-15)21(27)25-10-7-22(8-11-25)6-9-24(14-22)12-18-4-5-19(29-18)13-28-17(3)26/h4-5H,6-14H2,1-3H3
InChIKeyHTOQZUIGWUGSDQ-UHFFFAOYSA-N
XLogP3.08
TPSA89.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate (CID 3870853) is [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(CN2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)o1.
What is the InChIKey of [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate?
The InChIKey is HTOQZUIGWUGSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-15-20(16(2)30-23-15)21(27)25-10-7-22(8-11-25)6-9-24(14-22)12-18-4-5-19(29-18)13-28-17(3)26/h4-5H,6-14H2,1-3H3.
What are the key properties of [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate?
[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate has a molecular weight of 415.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 3870853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).