4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole

C17H26N4O — CID 131946531

IUPAC4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCc1nccn1CC1CCCN(Cc2coc(C(C)C)n2)C1
InChIInChI=1S/C17H26N4O/c1-13(2)17-19-16(12-22-17)11-20-7-4-5-15(9-20)10-21-8-6-18-14(21)3/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3
InChIKeyWDLCVMUJARXIOW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.22
Rot. Bonds5

About 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole

4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 131946531) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
PubChem CID131946531
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCc1nccn1CC1CCCN(Cc2coc(C(C)C)n2)C1
InChIInChI=1S/C17H26N4O/c1-13(2)17-19-16(12-22-17)11-20-7-4-5-15(9-20)10-21-8-6-18-14(21)3/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3
InChIKeyWDLCVMUJARXIOW-UHFFFAOYSA-N
XLogP3.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole with MolForge

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Related Compounds

3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 95707908
8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
CID 92613141
4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 131934362
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
4-(1,4-diazepan-1-ylmethyl)-2-propan-2-yl-1,3-oxazole;dihydrochloride
CID 154904151
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 46980929
[(3R)-1-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95557907
4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95829142
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
CID 91834020
3-methyl-4-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 70745727

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (CID 131946531) is 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is Cc1nccn1CC1CCCN(Cc2coc(C(C)C)n2)C1.
What is the InChIKey of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is WDLCVMUJARXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13(2)17-19-16(12-22-17)11-20-7-4-5-15(9-20)10-21-8-6-18-14(21)3/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3.
What are the key properties of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 302.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 131946531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).