4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

C16H24N6O2 — CID 118739527

IUPAC4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(Cc4nccn4C)CCO3)C2)o1
InChIInChI=1S/C16H24N6O2/c1-13-18-19-15(24-13)22-6-3-4-16(12-22)11-21(8-9-23-16)10-14-17-5-7-20(14)2/h5,7H,3-4,6,8-12H2,1-2H3
InChIKeyUPAZROXNBOKBHG-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.98
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118739527) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118739527
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(Cc4nccn4C)CCO3)C2)o1
InChIInChI=1S/C16H24N6O2/c1-13-18-19-15(24-13)22-6-3-4-16(12-22)11-21(8-9-23-16)10-14-17-5-7-20(14)2/h5,7H,3-4,6,8-12H2,1-2H3
InChIKeyUPAZROXNBOKBHG-UHFFFAOYSA-N
XLogP0.98
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

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Related Compounds

3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72852648
4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2-methoxy-2-methylpropanoyl)piperidine
CID 72837672
4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(propoxyacetyl)piperidine
CID 72938755
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(methoxyacetyl)piperidine
CID 72868233
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70706290
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70706782
3-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 70716993
4-[(4-methyl-5-{1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methyl]morpholine
CID 70719999
4-[(5-{1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]morpholine
CID 70722139
4-({4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)morpholine
CID 70730695
2-Imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70763318

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118739527) is 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1nnc(N2CCCC3(CN(Cc4nccn4C)CCO3)C2)o1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is UPAZROXNBOKBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-13-18-19-15(24-13)22-6-3-4-16(12-22)11-21(8-9-23-16)10-14-17-5-7-20(14)2/h5,7H,3-4,6,8-12H2,1-2H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 332.41 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118739527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).