5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole

C20H27N5O — CID 71491701

IUPAC5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole
SMILESCCc1nn(-c2noc(C3CCN(C(C)CC)CC3)n2)c2ccccc12
InChIInChI=1S/C20H27N5O/c1-4-14(3)24-12-10-15(11-13-24)19-21-20(23-26-19)25-18-9-7-6-8-16(18)17(5-2)22-25/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeyXWBWURBJEPTIHV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.95
Rot. Bonds5

About 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole

5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole (PubChem CID 71491701) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole
PubChem CID71491701
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole
SMILESCCc1nn(-c2noc(C3CCN(C(C)CC)CC3)n2)c2ccccc12
InChIInChI=1S/C20H27N5O/c1-4-14(3)24-12-10-15(11-13-24)19-21-20(23-26-19)25-18-9-7-6-8-16(18)17(5-2)22-25/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeyXWBWURBJEPTIHV-UHFFFAOYSA-N
XLogP3.95
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole (CID 71491701) is 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole is CCc1nn(-c2noc(C3CCN(C(C)CC)CC3)n2)c2ccccc12.
What is the InChIKey of 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole?
The InChIKey is XWBWURBJEPTIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-14(3)24-12-10-15(11-13-24)19-21-20(23-26-19)25-18-9-7-6-8-16(18)17(5-2)22-25/h6-9,14-15H,4-5,10-13H2,1-3H3.
What are the key properties of 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole?
5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole has a molecular weight of 353.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71491701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).