[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

C16H22N4O3 — CID 37377469

IUPAC[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)c1noc(CN2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)15-17-13(23-18-15)11-19-6-8-20(9-7-19)14(21)12-5-4-10-22-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOCVZBASXSLKUQA-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.92
Rot. Bonds3

About [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 37377469) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID37377469
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)c1noc(CN2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)15-17-13(23-18-15)11-19-6-8-20(9-7-19)14(21)12-5-4-10-22-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOCVZBASXSLKUQA-UHFFFAOYSA-N
XLogP1.92
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 37377469) is [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is CC(C)(C)c1noc(CN2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OCVZBASXSLKUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)15-17-13(23-18-15)11-19-6-8-20(9-7-19)14(21)12-5-4-10-22-12/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 37377469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).