1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone

C14H20N2O3 — CID 138004093

IUPAC1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(O)CC23CCC3)on1
InChIInChI=1S/C14H20N2O3/c1-10-7-12(19-15-10)8-13(18)16-6-3-11(17)9-14(16)4-2-5-14/h7,11,17H,2-6,8-9H2,1H3
InChIKeyVLTYECJBLQIHTK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds2

About 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone

1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 138004093) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID138004093
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(O)CC23CCC3)on1
InChIInChI=1S/C14H20N2O3/c1-10-7-12(19-15-10)8-13(18)16-6-3-11(17)9-14(16)4-2-5-14/h7,11,17H,2-6,8-9H2,1H3
InChIKeyVLTYECJBLQIHTK-UHFFFAOYSA-N
XLogP1.43
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 138004093) is 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(CC(=O)N2CCC(O)CC23CCC3)on1.
What is the InChIKey of 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is VLTYECJBLQIHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-12(19-15-10)8-13(18)16-6-3-11(17)9-14(16)4-2-5-14/h7,11,17H,2-6,8-9H2,1H3.
What are the key properties of 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 138004093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).