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

C16H18N6O3 — CID 91908476

IUPAC[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1
InChIInChI=1S/C16H18N6O3/c1-2-14-17-15(25-19-14)13-9-22(20-18-13)12-3-6-21(7-4-12)16(23)11-5-8-24-10-11/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyXGQCZUYYWKYXIU-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.96
Rot. Bonds4

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

[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 91908476) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID91908476
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1
InChIInChI=1S/C16H18N6O3/c1-2-14-17-15(25-19-14)13-9-22(20-18-13)12-3-6-21(7-4-12)16(23)11-5-8-24-10-11/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyXGQCZUYYWKYXIU-UHFFFAOYSA-N
XLogP1.96
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone (CID 91908476) is [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone is CCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1.
What is the InChIKey of [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is XGQCZUYYWKYXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-2-14-17-15(25-19-14)13-9-22(20-18-13)12-3-6-21(7-4-12)16(23)11-5-8-24-10-11/h5,8-10,12H,2-4,6-7H2,1H3.
What are the key properties of [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 342.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 91908476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).