5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

C12H17N5O — CID 65196054

IUPAC5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(C3(C)CCNCC3)n2)n1
InChIInChI=1S/C12H17N5O/c1-12(4-6-13-7-5-12)11-14-10(16-18-11)9-3-8-17(2)15-9/h3,8,13H,4-7H2,1-2H3
InChIKeyDNGWBNHWODBCHI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.11
Rot. Bonds2

About 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 65196054) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID65196054
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(C3(C)CCNCC3)n2)n1
InChIInChI=1S/C12H17N5O/c1-12(4-6-13-7-5-12)11-14-10(16-18-11)9-3-8-17(2)15-9/h3,8,13H,4-7H2,1-2H3
InChIKeyDNGWBNHWODBCHI-UHFFFAOYSA-N
XLogP1.11
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 65196054) is 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is Cn1ccc(-c2noc(C3(C)CCNCC3)n2)n1.
What is the InChIKey of 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is DNGWBNHWODBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-12(4-6-13-7-5-12)11-14-10(16-18-11)9-3-8-17(2)15-9/h3,8,13H,4-7H2,1-2H3.
What are the key properties of 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65196054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).