4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole

C14H20N4O — CID 106377569

IUPAC4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(Cn2cncc2C2CCNCC2)oc1C
InChIInChI=1S/C14H20N4O/c1-10-11(2)19-14(17-10)8-18-9-16-7-13(18)12-3-5-15-6-4-12/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeyZTSLFTKDKCFCSH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds3

About 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole

4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 106377569) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID106377569
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(Cn2cncc2C2CCNCC2)oc1C
InChIInChI=1S/C14H20N4O/c1-10-11(2)19-14(17-10)8-18-9-16-7-13(18)12-3-5-15-6-4-12/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeyZTSLFTKDKCFCSH-UHFFFAOYSA-N
XLogP2.00
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine
CID 114706757
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 114180990
2-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377565
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 114707092
5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 106377569) is 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole is Cc1nc(Cn2cncc2C2CCNCC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is ZTSLFTKDKCFCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-11(2)19-14(17-10)8-18-9-16-7-13(18)12-3-5-15-6-4-12/h7,9,12,15H,3-6,8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole?
4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 260.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 106377569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).