1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

C15H22N2O5 — CID 165417299

IUPAC1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)on1
InChIInChI=1S/C15H22N2O5/c1-10-8-11(22-16-10)9-13(19)17-5-3-15(4-6-17)14(20)12(18)2-7-21-15/h8,12,14,18,20H,2-7,9H2,1H3/t12-,14-/m0/s1
InChIKeyDSRLPXMYBUSHTM-JSGCOSHPSA-N
MW310.35 g/mol
LogP0.03
Rot. Bonds2

About 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 165417299) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID165417299
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)on1
InChIInChI=1S/C15H22N2O5/c1-10-8-11(22-16-10)9-13(19)17-5-3-15(4-6-17)14(20)12(18)2-7-21-15/h8,12,14,18,20H,2-7,9H2,1H3/t12-,14-/m0/s1
InChIKeyDSRLPXMYBUSHTM-JSGCOSHPSA-N
XLogP0.03
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 138004093
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
(5S)-2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97123414
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 91839918
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 134703380
1-[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone;formic acid
CID 171712958
2-(3-methyl-1,2-oxazol-5-yl)-1-(4-pent-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 134707125
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
2-(4-fluoro-2-methylphenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 124998798
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 97210246

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 165417299) is 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(CC(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)on1.
What is the InChIKey of 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is DSRLPXMYBUSHTM-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-10-8-11(22-16-10)9-13(19)17-5-3-15(4-6-17)14(20)12(18)2-7-21-15/h8,12,14,18,20H,2-7,9H2,1H3/t12-,14-/m0/s1.
What are the key properties of 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 310.35 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 165417299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).