[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone

C17H22N4O3 — CID 47084688

IUPAC[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCCN1Cc1nc(-c2ccco2)no1)N1CCCC1
InChIInChI=1S/C17H22N4O3/c22-17(20-8-3-4-9-20)13-6-1-2-10-21(13)12-15-18-16(19-24-15)14-7-5-11-23-14/h5,7,11,13H,1-4,6,8-10,12H2
InChIKeySNXGULASXQXCEW-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.31
Rot. Bonds4

About [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone

[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 47084688) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID47084688
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCCN1Cc1nc(-c2ccco2)no1)N1CCCC1
InChIInChI=1S/C17H22N4O3/c22-17(20-8-3-4-9-20)13-6-1-2-10-21(13)12-15-18-16(19-24-15)14-7-5-11-23-14/h5,7,11,13H,1-4,6,8-10,12H2
InChIKeySNXGULASXQXCEW-UHFFFAOYSA-N
XLogP2.31
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 6464046
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-furoyl)piperazine
CID 16189788
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
CID 162650076
Furan-2-carboxylic acid ethyl-(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amide
CID 6472751
Cyclohexyl-{3-[3-(5-methyl-furan-2-yl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 647826
N-(2-furylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 46296056
5-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 53612862
1-[(2R)-2-[3-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 118738134
3-(4-Fluorophenyl)-5-[1-(furan-2-carbonyl)pyrrolidin-2-YL]-1,2,4-oxadiazole
CID 813136
N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 6461987
1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-furoyl)piperazine
CID 28358548
[1-[[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 37271630

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone (CID 47084688) is [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCCN1Cc1nc(-c2ccco2)no1)N1CCCC1.
What is the InChIKey of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SNXGULASXQXCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-17(20-8-3-4-9-20)13-6-1-2-10-21(13)12-15-18-16(19-24-15)14-7-5-11-23-14/h5,7,11,13H,1-4,6,8-10,12H2.
What are the key properties of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 47084688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).