5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C15H23N5O — CID 56700861

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1n[nH]c(C)c1Cc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C15H23N5O/c1-10-13(11(2)18-17-10)9-15-16-14(19-21-15)8-12-4-6-20(3)7-5-12/h12H,4-9H2,1-3H3,(H,17,18)
InChIKeyBGBNUCVJMHRADE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.88
Rot. Bonds4

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56700861) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56700861
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1n[nH]c(C)c1Cc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C15H23N5O/c1-10-13(11(2)18-17-10)9-15-16-14(19-21-15)8-12-4-6-20(3)7-5-12/h12H,4-9H2,1-3H3,(H,17,18)
InChIKeyBGBNUCVJMHRADE-UHFFFAOYSA-N
XLogP1.88
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56700861) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is Cc1n[nH]c(C)c1Cc1nc(CC2CCN(C)CC2)no1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is BGBNUCVJMHRADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-13(11(2)18-17-10)9-15-16-14(19-21-15)8-12-4-6-20(3)7-5-12/h12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56700861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).