furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone

C18H18N4O4 — CID 71687053

IUPACfuran-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCCC(OCc2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C18H18N4O4/c23-18(15-6-3-9-24-15)22-8-2-5-14(11-22)25-12-16-20-17(21-26-16)13-4-1-7-19-10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2
InChIKeyPTZBAWQIMJVSJU-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.55
Rot. Bonds5

About furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone

furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone (PubChem CID 71687053) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
PubChem CID71687053
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Namefuran-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCCC(OCc2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C18H18N4O4/c23-18(15-6-3-9-24-15)22-8-2-5-14(11-22)25-12-16-20-17(21-26-16)13-4-1-7-19-10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2
InChIKeyPTZBAWQIMJVSJU-UHFFFAOYSA-N
XLogP2.55
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone (CID 71687053) is furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone is O=C(c1ccco1)N1CCCC(OCc2nc(-c3cccnc3)no2)C1.
What is the InChIKey of furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The InChIKey is PTZBAWQIMJVSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-18(15-6-3-9-24-15)22-8-2-5-14(11-22)25-12-16-20-17(21-26-16)13-4-1-7-19-10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2.
What are the key properties of furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone has a molecular weight of 354.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71687053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).