N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C16H19N3O3 — CID 100839328

IUPACN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H19N3O3/c20-16(12-10-15(22-18-12)14-5-3-9-21-14)17-11-6-8-19-7-2-1-4-13(11)19/h3,5,9-11,13H,1-2,4,6-8H2,(H,17,20)/t11-,13+/m1/s1
InChIKeyLAPOVHORYHTNJT-YPMHNXCESA-N
MW301.35 g/mol
LogP2.29
Rot. Bonds3

About N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 100839328) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID100839328
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H19N3O3/c20-16(12-10-15(22-18-12)14-5-3-9-21-14)17-11-6-8-19-7-2-1-4-13(11)19/h3,5,9-11,13H,1-2,4,6-8H2,(H,17,20)/t11-,13+/m1/s1
InChIKeyLAPOVHORYHTNJT-YPMHNXCESA-N
XLogP2.29
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51896540
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369401
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]furan-2-carboxamide
CID 94121408
5-(furan-2-yl)-N-[(3R)-2-oxopiperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 94363969
5-(furan-2-yl)-N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 120601208
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119459139
N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 112817167
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 100845880
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
5-(furan-2-yl)-N-(6-oxopiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 62491594
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 94121472
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485

Frequently Asked Questions

What is the IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 100839328) is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LAPOVHORYHTNJT-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(12-10-15(22-18-12)14-5-3-9-21-14)17-11-6-8-19-7-2-1-4-13(11)19/h3,5,9-11,13H,1-2,4,6-8H2,(H,17,20)/t11-,13+/m1/s1.
What are the key properties of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 100839328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).