5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole

C17H21N5O — CID 53041024

IUPAC5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2nn(CCN3CCCCC3)c3ccccc23)no1
InChIInChI=1S/C17H21N5O/c1-13-18-17(20-23-13)16-14-7-3-4-8-15(14)22(19-16)12-11-21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyBJOHATQMRIXFMZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.88
Rot. Bonds4

About 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole

5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole (PubChem CID 53041024) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole
PubChem CID53041024
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2nn(CCN3CCCCC3)c3ccccc23)no1
InChIInChI=1S/C17H21N5O/c1-13-18-17(20-23-13)16-14-7-3-4-8-15(14)22(19-16)12-11-21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyBJOHATQMRIXFMZ-UHFFFAOYSA-N
XLogP2.88
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole (CID 53041024) is 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole is Cc1nc(-c2nn(CCN3CCCCC3)c3ccccc23)no1.
What is the InChIKey of 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is BJOHATQMRIXFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-18-17(20-23-13)16-14-7-3-4-8-15(14)22(19-16)12-11-21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole?
5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 311.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(2-piperidin-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).