[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C15H22N2O4 — CID 98776933

IUPAC[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOC[C@@H]1CCC[C@]12CN(C(=O)c1cc(C)on1)CCO2
InChIInChI=1S/C15H22N2O4/c1-11-8-13(16-21-11)14(18)17-6-7-20-15(10-17)5-3-4-12(15)9-19-2/h8,12H,3-7,9-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyRSORQFUUQLVAPO-WFASDCNBSA-N
MW294.35 g/mol
LogP1.64
Rot. Bonds3

About [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 98776933) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID98776933
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOC[C@@H]1CCC[C@]12CN(C(=O)c1cc(C)on1)CCO2
InChIInChI=1S/C15H22N2O4/c1-11-8-13(16-21-11)14(18)17-6-7-20-15(10-17)5-3-4-12(15)9-19-2/h8,12H,3-7,9-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyRSORQFUUQLVAPO-WFASDCNBSA-N
XLogP1.64
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S,5R)-4-(ethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98776941
(5-methyl-1,2-oxazol-3-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452476
[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683793
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155834486
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
(5-methyl-1,2-oxazol-3-yl)-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893169
[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 98776893
(5-methyl-1,2-oxazol-4-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452469
(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451780
(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97452413
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131678675

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 98776933) is [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COC[C@@H]1CCC[C@]12CN(C(=O)c1cc(C)on1)CCO2.
What is the InChIKey of [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RSORQFUUQLVAPO-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-8-13(16-21-11)14(18)17-6-7-20-15(10-17)5-3-4-12(15)9-19-2/h8,12H,3-7,9-10H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 98776933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).