[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C14H20N2O4 — CID 72940782

IUPAC[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ocnc1C)CC2
InChIInChI=1S/C14H20N2O4/c1-9-12(20-8-15-9)13(18)16-5-3-14(4-6-16)10(17)7-11(14)19-2/h8,10-11,17H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyLFKVAHGWMGDKEN-MNOVXSKESA-N
MW280.32 g/mol
LogP0.99
Rot. Bonds2

About [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 72940782) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID72940782
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ocnc1C)CC2
InChIInChI=1S/C14H20N2O4/c1-9-12(20-8-15-9)13(18)16-5-3-14(4-6-16)10(17)7-11(14)19-2/h8,10-11,17H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyLFKVAHGWMGDKEN-MNOVXSKESA-N
XLogP0.99
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 72940782) is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ocnc1C)CC2.
What is the InChIKey of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is LFKVAHGWMGDKEN-MNOVXSKESA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-12(20-8-15-9)13(18)16-5-3-14(4-6-16)10(17)7-11(14)19-2/h8,10-11,17H,3-7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 280.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 72940782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).