5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

C13H19N5O — CID 106410304

IUPAC5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2cncc2C2(C)CCNCC2)no1
InChIInChI=1S/C13H19N5O/c1-10-16-12(17-19-10)8-18-9-15-7-11(18)13(2)3-5-14-6-4-13/h7,9,14H,3-6,8H2,1-2H3
InChIKeyDXLAKMSNSYLSIY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.26
Rot. Bonds3

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

5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 106410304) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID106410304
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2cncc2C2(C)CCNCC2)no1
InChIInChI=1S/C13H19N5O/c1-10-16-12(17-19-10)8-18-9-15-7-11(18)13(2)3-5-14-6-4-13/h7,9,14H,3-6,8H2,1-2H3
InChIKeyDXLAKMSNSYLSIY-UHFFFAOYSA-N
XLogP1.26
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 106410304) is 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(Cn2cncc2C2(C)CCNCC2)no1.
What is the InChIKey of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DXLAKMSNSYLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-16-12(17-19-10)8-18-9-15-7-11(18)13(2)3-5-14-6-4-13/h7,9,14H,3-6,8H2,1-2H3.
What are the key properties of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106410304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).