3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole

C13H19N5O2 — CID 95824615

IUPAC3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1
InChIInChI=1S/C13H19N5O2/c1-19-9-12-16-13(17-20-12)10-2-6-18(7-3-10)8-11-14-4-5-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyNAPUCUYDGUTKNB-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.32
Rot. Bonds5

About 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole

3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 95824615) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID95824615
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1
InChIInChI=1S/C13H19N5O2/c1-19-9-12-16-13(17-20-12)10-2-6-18(7-3-10)8-11-14-4-5-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyNAPUCUYDGUTKNB-UHFFFAOYSA-N
XLogP1.32
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1H-imidazol-2-yl)-1-[(2-methoxyethoxy)acetyl]piperidine
CID 70732754
2-(2-isopropyl-1H-imidazol-1-yl)-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
CID 72907058
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95817633
5-(Methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 95824499
2-Imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 87053121
[3-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 91918460
3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 75483490
formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 118747426
1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-propoxyethanone
CID 132356722
4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 136531175
5-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 132373088
5-(1H-imidazol-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 136356704

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole (CID 95824615) is 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole is COCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1.
What is the InChIKey of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is NAPUCUYDGUTKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-19-9-12-16-13(17-20-12)10-2-6-18(7-3-10)8-11-14-4-5-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15).
What are the key properties of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 277.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 95824615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).