[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone

C18H20N2O4 — CID 155996789

IUPAC[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2ccno2)C[C@]12C[C@@H](c1ccccc1)CO2
InChIInChI=1S/C18H20N2O4/c1-22-16-10-20(17(21)15-7-8-19-24-15)12-18(16)9-14(11-23-18)13-5-3-2-4-6-13/h2-8,14,16H,9-12H2,1H3/t14-,16-,18-/m1/s1
InChIKeyUKNDXUFMXKJLOG-QGPMSJSTSA-N
MW328.37 g/mol
LogP2.09
Rot. Bonds3

About [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone

[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 155996789) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID155996789
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2ccno2)C[C@]12C[C@@H](c1ccccc1)CO2
InChIInChI=1S/C18H20N2O4/c1-22-16-10-20(17(21)15-7-8-19-24-15)12-18(16)9-14(11-23-18)13-5-3-2-4-6-13/h2-8,14,16H,9-12H2,1H3/t14-,16-,18-/m1/s1
InChIKeyUKNDXUFMXKJLOG-QGPMSJSTSA-N
XLogP2.09
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2S,5R)-7-[(5-fluoro-2-methylphenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124800817
[(3R,4S)-3-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 129578737
7-{2-[(2-Fluorobenzyl)oxy]ethyl}-2-(5-isoxazolylcarbonyl)-5-oxa-2-azaspiro[3.4]octane
CID 154582285
1,2-Oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 72737727
[(1R,8R,9S,10S)-10-[[methyl(1,2-oxazole-5-carbonyl)amino]methyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl] acetate
CID 132455913
(4R)-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 74228219
N-[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]isoxazole-5-carboxamide
CID 90653757
[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 97391868
1,2-oxazol-5-yl-[(3R,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394311
1,2-oxazol-5-yl-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394312
1,2-oxazol-5-yl-[(3R,5S)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394313
1,2-oxazol-5-yl-[(3S,5S)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394314

Frequently Asked Questions

What is the IUPAC name of [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone (CID 155996789) is [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone is CO[C@@H]1CN(C(=O)c2ccno2)C[C@]12C[C@@H](c1ccccc1)CO2.
What is the InChIKey of [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is UKNDXUFMXKJLOG-QGPMSJSTSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-16-10-20(17(21)15-7-8-19-24-15)12-18(16)9-14(11-23-18)13-5-3-2-4-6-13/h2-8,14,16H,9-12H2,1H3/t14-,16-,18-/m1/s1.
What are the key properties of [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?
[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 155996789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).