1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one

C14H21N3O4 — CID 124810796

IUPAC1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC[C@@H]2C[C@@H](c3noc(C)n3)O[C@H]2C1
InChIInChI=1S/C14H21N3O4/c1-9-15-14(16-21-9)11-7-10-3-5-17(8-12(10)20-11)13(18)4-6-19-2/h10-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyPTLLDLUYFUGZBF-WOPDTQHZSA-N
MW295.34 g/mol
LogP1.09
Rot. Bonds4

About 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one

1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one (PubChem CID 124810796) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one
PubChem CID124810796
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC[C@@H]2C[C@@H](c3noc(C)n3)O[C@H]2C1
InChIInChI=1S/C14H21N3O4/c1-9-15-14(16-21-9)11-7-10-3-5-17(8-12(10)20-11)13(18)4-6-19-2/h10-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyPTLLDLUYFUGZBF-WOPDTQHZSA-N
XLogP1.09
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one with MolForge

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Related Compounds

(2S,3aR,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124809720
1-[(2S,3aR,7aR)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-phenylpropan-1-one
CID 124810934
(2S,3aS,7aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369792
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 95734338
1-[(2S,3aR,7aR)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 124811056
1-[(2R,3aR,7aR)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 133142454
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
[(2R,7aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(5-methoxypyrimidin-2-yl)methanone
CID 131689293
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
[(2R,3aR,7aR)-2-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 133139611
3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97344976
1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 110088511

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one (CID 124810796) is 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one is COCCC(=O)N1CC[C@@H]2C[C@@H](c3noc(C)n3)O[C@H]2C1.
What is the InChIKey of 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one?
The InChIKey is PTLLDLUYFUGZBF-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-15-14(16-21-9)11-7-10-3-5-17(8-12(10)20-11)13(18)4-6-19-2/h10-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1.
What are the key properties of 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one?
1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one has a molecular weight of 295.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 124810796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).