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

C17H26N2O5 — CID 133134947

IUPAC[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCCO)no1
InChIInChI=1S/C17H26N2O5/c1-11(2)13-9-12(18-24-13)16(22)19-5-3-17(4-6-19)14(21)10-15(17)23-8-7-20/h9,11,14-15,20-21H,3-8,10H2,1-2H3/t14-,15+/m0/s1
InChIKeyWAOPNAUESHHRFD-LSDHHAIUSA-N
MW338.40 g/mol
LogP1.16
Rot. Bonds5

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

[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 133134947) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID133134947
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCCO)no1
InChIInChI=1S/C17H26N2O5/c1-11(2)13-9-12(18-24-13)16(22)19-5-3-17(4-6-19)14(21)10-15(17)23-8-7-20/h9,11,14-15,20-21H,3-8,10H2,1-2H3/t14-,15+/m0/s1
InChIKeyWAOPNAUESHHRFD-LSDHHAIUSA-N
XLogP1.16
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72932755
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97216206
[(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
1,3-benzothiazol-6-yl-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 70765958
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 163315098
(1S,3R)-3-(2-hydroxyethoxy)-7-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 133130332
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 154896707
piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 119043229
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(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) is [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCCO)no1.
What is the InChIKey of [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is WAOPNAUESHHRFD-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-11(2)13-9-12(18-24-13)16(22)19-5-3-17(4-6-19)14(21)10-15(17)23-8-7-20/h9,11,14-15,20-21H,3-8,10H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 338.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 133134947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).