5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole

C14H21N5O2 — CID 95824499

IUPAC5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCN(Cc3nccn3C)CC2)no1
InChIInChI=1S/C14H21N5O2/c1-18-8-5-15-12(18)9-19-6-3-11(4-7-19)14-16-13(10-20-2)21-17-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyZASWFJMFSVMIQB-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.33
Rot. Bonds5

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

5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 95824499) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID95824499
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCN(Cc3nccn3C)CC2)no1
InChIInChI=1S/C14H21N5O2/c1-18-8-5-15-12(18)9-19-6-3-11(4-7-19)14-16-13(10-20-2)21-17-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyZASWFJMFSVMIQB-UHFFFAOYSA-N
XLogP1.33
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole (CID 95824499) is 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole is COCc1nc(C2CCN(Cc3nccn3C)CC2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is ZASWFJMFSVMIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-18-8-5-15-12(18)9-19-6-3-11(4-7-19)14-16-13(10-20-2)21-17-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 291.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95824499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).