[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone

C12H16N2O4 — CID 110155802

IUPAC[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C12H16N2O4/c15-10-8-14(11(16)9-2-7-18-13-9)5-4-12(10)3-1-6-17-12/h2,7,10,15H,1,3-6,8H2/t10-,12-/m0/s1
InChIKeyRGXLGUSXPQFRQM-JQWIXIFHSA-N
MW252.27 g/mol
LogP0.43
Rot. Bonds1

About [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone

[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 110155802) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID110155802
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C12H16N2O4/c15-10-8-14(11(16)9-2-7-18-13-9)5-4-12(10)3-1-6-17-12/h2,7,10,15H,1,3-6,8H2/t10-,12-/m0/s1
InChIKeyRGXLGUSXPQFRQM-JQWIXIFHSA-N
XLogP0.43
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-2-pyridinyl)methanone
CID 110156165
(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159606
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487
3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
CID 110156204
(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159563
(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110156524
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
4-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 110155869
3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156871
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647

Frequently Asked Questions

What is the IUPAC name of [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone (CID 110155802) is [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is RGXLGUSXPQFRQM-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-10-8-14(11(16)9-2-7-18-13-9)5-4-12(10)3-1-6-17-12/h2,7,10,15H,1,3-6,8H2/t10-,12-/m0/s1.
What are the key properties of [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone?
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110155802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).