1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C18H23N3O3 — CID 154569211

IUPAC1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCOC4C[C@H](CO)C[C@@H]43)cnc12
InChIInChI=1S/C18H23N3O3/c1-12-3-2-4-20-14(10-19-18(12)20)9-17(23)21-5-6-24-16-8-13(11-22)7-15(16)21/h2-4,10,13,15-16,22H,5-9,11H2,1H3/t13-,15+,16?/m1/s1
InChIKeySAVCEGLTFZCSAB-YISXUXMPSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds3

About 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 154569211) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID154569211
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCOC4C[C@H](CO)C[C@@H]43)cnc12
InChIInChI=1S/C18H23N3O3/c1-12-3-2-4-20-14(10-19-18(12)20)9-17(23)21-5-6-24-16-8-13(11-22)7-15(16)21/h2-4,10,13,15-16,22H,5-9,11H2,1H3/t13-,15+,16?/m1/s1
InChIKeySAVCEGLTFZCSAB-YISXUXMPSA-N
XLogP1.18
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone with MolForge

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Related Compounds

1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 154565775
1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 154567204
3-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 154570242
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
CID 56911408
1-[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2H-indazol-3-yl)ethanone
CID 172897236
1-[(3aR,6R,7aS)-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 118775120
1-[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(4-chloro-2-methylphenoxy)ethanone
CID 172897287
[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 172896904
1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 154568035
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 166257543
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 166616819
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
CID 70704986

Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 154569211) is 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1cccn2c(CC(=O)N3CCOC4C[C@H](CO)C[C@@H]43)cnc12.
What is the InChIKey of 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is SAVCEGLTFZCSAB-YISXUXMPSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-3-2-4-20-14(10-19-18(12)20)9-17(23)21-5-6-24-16-8-13(11-22)7-15(16)21/h2-4,10,13,15-16,22H,5-9,11H2,1H3/t13-,15+,16?/m1/s1.
What are the key properties of 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 154569211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).