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

C17H18N6O3 — CID 91908602

IUPAC[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C17H18N6O3/c24-17(12-5-7-25-10-12)22-6-1-2-13(8-22)23-9-14(19-21-23)16-18-15(20-26-16)11-3-4-11/h5,7,9-11,13H,1-4,6,8H2
InChIKeyITIQHIAZEMIWJB-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.28
Rot. Bonds4

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

[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 91908602) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID91908602
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C17H18N6O3/c24-17(12-5-7-25-10-12)22-6-1-2-13(8-22)23-9-14(19-21-23)16-18-15(20-26-16)11-3-4-11/h5,7,9-11,13H,1-4,6,8H2
InChIKeyITIQHIAZEMIWJB-UHFFFAOYSA-N
XLogP2.28
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone (CID 91908602) is [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCC(n2cc(-c3nc(C4CC4)no3)nn2)C1.
What is the InChIKey of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is ITIQHIAZEMIWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c24-17(12-5-7-25-10-12)22-6-1-2-13(8-22)23-9-14(19-21-23)16-18-15(20-26-16)11-3-4-11/h5,7,9-11,13H,1-4,6,8H2.
What are the key properties of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 354.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 91908602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).