[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C15H22N2O4 — CID 97216206

IUPAC[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)on1)CC2
InChIInChI=1S/C15H22N2O4/c1-3-20-13-9-12(18)15(13)4-6-17(7-5-15)14(19)11-8-10(2)21-16-11/h8,12-13,18H,3-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyOTUMRPPPOYZBEN-QWHCGFSZSA-N
MW294.35 g/mol
LogP1.38
Rot. Bonds3

About [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 97216206) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID97216206
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)on1)CC2
InChIInChI=1S/C15H22N2O4/c1-3-20-13-9-12(18)15(13)4-6-17(7-5-15)14(19)11-8-10(2)21-16-11/h8,12-13,18H,3-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyOTUMRPPPOYZBEN-QWHCGFSZSA-N
XLogP1.38
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 97216177
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 133134947
(1,3-dimethylpyrazol-4-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97100859
6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione
CID 72937772
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 97100812
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 133135434
(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72932755
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 70776664
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71929955

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 97216206) is [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)on1)CC2.
What is the InChIKey of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is OTUMRPPPOYZBEN-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-20-13-9-12(18)15(13)4-6-17(7-5-15)14(19)11-8-10(2)21-16-11/h8,12-13,18H,3-7,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97216206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).