formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole

C13H19N5O3 — CID 118747426

IUPACformic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1.O=CO
InChIInChI=1S/C12H17N5O.CH2O2/c1-9-15-12(16-18-9)10-2-6-17(7-3-10)8-11-13-4-5-14-11;2-1-3/h4-5,10H,2-3,6-8H2,1H3,(H,13,14);1H,(H,2,3)
InChIKeyXNPDEDACBOAAAB-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.18
Rot. Bonds3

About formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole

formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 118747426) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Nameformic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID118747426
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nameformic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1.O=CO
InChIInChI=1S/C12H17N5O.CH2O2/c1-9-15-12(16-18-9)10-2-6-17(7-3-10)8-11-13-4-5-14-11;2-1-3/h4-5,10H,2-3,6-8H2,1H3,(H,13,14);1H,(H,2,3)
InChIKeyXNPDEDACBOAAAB-UHFFFAOYSA-N
XLogP1.18
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (CID 118747426) is formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1.O=CO.
What is the InChIKey of formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is XNPDEDACBOAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.CH2O2/c1-9-15-12(16-18-9)10-2-6-17(7-3-10)8-11-13-4-5-14-11;2-1-3/h4-5,10H,2-3,6-8H2,1H3,(H,13,14);1H,(H,2,3).
What are the key properties of formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 293.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 118747426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).