3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole

C13H18N4O — CID 114705195

IUPAC3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2cncc2C2CCCNC2)on1
InChIInChI=1S/C13H18N4O/c1-10-5-12(18-16-10)8-17-9-15-7-13(17)11-3-2-4-14-6-11/h5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyZYFSZEYABUUSAV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole

3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole (PubChem CID 114705195) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
PubChem CID114705195
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2cncc2C2CCCNC2)on1
InChIInChI=1S/C13H18N4O/c1-10-5-12(18-16-10)8-17-9-15-7-13(17)11-3-2-4-14-6-11/h5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyZYFSZEYABUUSAV-UHFFFAOYSA-N
XLogP1.69
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine
CID 114704448
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 114180990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole (CID 114705195) is 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole is Cc1cc(Cn2cncc2C2CCCNC2)on1.
What is the InChIKey of 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is ZYFSZEYABUUSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-5-12(18-16-10)8-17-9-15-7-13(17)11-3-2-4-14-6-11/h5,7,9,11,14H,2-4,6,8H2,1H3.
What are the key properties of 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole?
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 246.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 114705195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).