[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone

C18H22N2O3 — CID 94487538

IUPAC[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone
SMILESCCOc1ccc2cc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)[nH]c2c1
InChIInChI=1S/C18H22N2O3/c1-2-22-13-7-6-12-10-15(19-14(12)11-13)18(21)20-8-9-23-17-5-3-4-16(17)20/h6-7,10-11,16-17,19H,2-5,8-9H2,1H3/t16-,17+/m0/s1
InChIKeyGZDOKVWCYGRYHK-DLBZAZTESA-N
MW314.38 g/mol
LogP2.96
Rot. Bonds3

About [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone

[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone (PubChem CID 94487538) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone
PubChem CID94487538
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone
SMILESCCOc1ccc2cc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)[nH]c2c1
InChIInChI=1S/C18H22N2O3/c1-2-22-13-7-6-12-10-15(19-14(12)11-13)18(21)20-8-9-23-17-5-3-4-16(17)20/h6-7,10-11,16-17,19H,2-5,8-9H2,1H3/t16-,17+/m0/s1
InChIKeyGZDOKVWCYGRYHK-DLBZAZTESA-N
XLogP2.96
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone with MolForge

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Related Compounds

(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-bromo-1H-indol-2-yl)methanone
CID 56819225
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(6-ethoxy-1H-indol-2-yl)methanone
CID 55822510
6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide
CID 94812428
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3,4-diethoxyphenyl)methanone
CID 60557376
3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2H-isoquinolin-1-one
CID 95580359
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 95580375
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168568
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55830001
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 55829589

Frequently Asked Questions

What is the IUPAC name of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone?
The IUPAC name of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone (CID 94487538) is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone is CCOc1ccc2cc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)[nH]c2c1.
What is the InChIKey of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone?
The InChIKey is GZDOKVWCYGRYHK-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-22-13-7-6-12-10-15(19-14(12)11-13)18(21)20-8-9-23-17-5-3-4-16(17)20/h6-7,10-11,16-17,19H,2-5,8-9H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone?
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 94487538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).