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

C18H18N4O4 — CID 87053185

IUPACfuran-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(OCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C18H18N4O4/c23-18(15-2-1-11-24-15)22-9-5-14(6-10-22)25-12-16-20-17(21-26-16)13-3-7-19-8-4-13/h1-4,7-8,11,14H,5-6,9-10,12H2
InChIKeyBQMJEFONJFMZLN-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.55
Rot. Bonds5

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

furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone (PubChem CID 87053185) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
PubChem CID87053185
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Namefuran-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(OCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C18H18N4O4/c23-18(15-2-1-11-24-15)22-9-5-14(6-10-22)25-12-16-20-17(21-26-16)13-3-7-19-8-4-13/h1-4,7-8,11,14H,5-6,9-10,12H2
InChIKeyBQMJEFONJFMZLN-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-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone (CID 87053185) is furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(OCc2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The InChIKey is BQMJEFONJFMZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-18(15-2-1-11-24-15)22-9-5-14(6-10-22)25-12-16-20-17(21-26-16)13-3-7-19-8-4-13/h1-4,7-8,11,14H,5-6,9-10,12H2.
What are the key properties of furan-2-yl-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
furan-2-yl-[4-[(3-pyridin-4-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-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 87053185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).