(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol

C17H23N3O3S — CID 97100866

IUPAC(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(Cc1nnc(-c3cccs3)o1)CC2
InChIInChI=1S/C17H23N3O3S/c1-2-22-14-10-13(21)17(14)5-7-20(8-6-17)11-15-18-19-16(23-15)12-4-3-9-24-12/h3-4,9,13-14,21H,2,5-8,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyFDCABIMTQFZHTF-UONOGXRCSA-N
MW349.46 g/mol
LogP2.55
Rot. Bonds5

About (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol

(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 97100866) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID97100866
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(Cc1nnc(-c3cccs3)o1)CC2
InChIInChI=1S/C17H23N3O3S/c1-2-22-14-10-13(21)17(14)5-7-20(8-6-17)11-15-18-19-16(23-15)12-4-3-9-24-12/h3-4,9,13-14,21H,2,5-8,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyFDCABIMTQFZHTF-UONOGXRCSA-N
XLogP2.55
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 78993305
3-ethoxy-7-[(1-phenyltetrazol-5-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457359
(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 99608200
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78787636
1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78788137
8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769574
2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598750
methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate
CID 78993394
3-(4-methoxyphenyl)-1-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 86970246
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110335223
3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111969522

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (CID 97100866) is (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@H](O)C12CCN(Cc1nnc(-c3cccs3)o1)CC2.
What is the InChIKey of (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is FDCABIMTQFZHTF-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-2-22-14-10-13(21)17(14)5-7-20(8-6-17)11-15-18-19-16(23-15)12-4-3-9-24-12/h3-4,9,13-14,21H,2,5-8,10-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 349.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 97100866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).