1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone

C15H19N3O3 — CID 154762094

IUPAC1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nnc(Cc3ccoc3)o2)[C@@H]1C
InChIInChI=1S/C15H19N3O3/c1-10-13(4-3-6-18(10)11(2)19)15-17-16-14(21-15)8-12-5-7-20-9-12/h5,7,9-10,13H,3-4,6,8H2,1-2H3/t10-,13-/m0/s1
InChIKeyUGPUMPHFTLOVOX-GWCFXTLKSA-N
MW289.33 g/mol
LogP2.37
Rot. Bonds3

About 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone

1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone (PubChem CID 154762094) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone
PubChem CID154762094
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nnc(Cc3ccoc3)o2)[C@@H]1C
InChIInChI=1S/C15H19N3O3/c1-10-13(4-3-6-18(10)11(2)19)15-17-16-14(21-15)8-12-5-7-20-9-12/h5,7,9-10,13H,3-4,6,8H2,1-2H3/t10-,13-/m0/s1
InChIKeyUGPUMPHFTLOVOX-GWCFXTLKSA-N
XLogP2.37
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 167934848
4-[(E)-2-[5-[(2S,3S)-1-acetyl-2-methylpiperidin-3-yl]-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
CID 167909430
4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 166393675
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
1-[(2S)-2-[(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307882
2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole
CID 167800402
tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate
CID 104954244
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
1-acetyl-3,4,4a,7a-tetrahydro-2H-furo[3,4-b]pyridine-5,7-dione
CID 75251326
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90543429
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430
3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107181461

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone (CID 154762094) is 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2nnc(Cc3ccoc3)o2)[C@@H]1C.
What is the InChIKey of 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone?
The InChIKey is UGPUMPHFTLOVOX-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-13(4-3-6-18(10)11(2)19)15-17-16-14(21-15)8-12-5-7-20-9-12/h5,7,9-10,13H,3-4,6,8H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone?
1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone has a molecular weight of 289.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 154762094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).