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

C20H18N6O3 — CID 91908527

IUPACfuran-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C20H18N6O3/c27-20(15-8-10-28-13-15)25-9-4-7-16(11-25)26-12-17(22-24-26)19-21-18(23-29-19)14-5-2-1-3-6-14/h1-3,5-6,8,10,12-13,16H,4,7,9,11H2
InChIKeyYQCUDGMNQLWSFP-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.07
Rot. Bonds4

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

furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91908527) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91908527
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Namefuran-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C20H18N6O3/c27-20(15-8-10-28-13-15)25-9-4-7-16(11-25)26-12-17(22-24-26)19-21-18(23-29-19)14-5-2-1-3-6-14/h1-3,5-6,8,10,12-13,16H,4,7,9,11H2
InChIKeyYQCUDGMNQLWSFP-UHFFFAOYSA-N
XLogP3.07
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91908527) is furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1.
What is the InChIKey of furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is YQCUDGMNQLWSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c27-20(15-8-10-28-13-15)25-9-4-7-16(11-25)26-12-17(22-24-26)19-21-18(23-29-19)14-5-2-1-3-6-14/h1-3,5-6,8,10,12-13,16H,4,7,9,11H2.
What are the key properties of furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 390.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91908527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).