N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C22H29N5O2 — CID 131933136

IUPACN-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Cn1c(CN2CCC(CNC(=O)c3ccon3)CC2)nc2ccccc21
InChIInChI=1S/C22H29N5O2/c1-16(2)14-27-20-6-4-3-5-18(20)24-21(27)15-26-10-7-17(8-11-26)13-23-22(28)19-9-12-29-25-19/h3-6,9,12,16-17H,7-8,10-11,13-15H2,1-2H3,(H,23,28)
InChIKeyJNEWDBHCVQAAQG-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.32
Rot. Bonds7

About N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 131933136) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID131933136
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Cn1c(CN2CCC(CNC(=O)c3ccon3)CC2)nc2ccccc21
InChIInChI=1S/C22H29N5O2/c1-16(2)14-27-20-6-4-3-5-18(20)24-21(27)15-26-10-7-17(8-11-26)13-23-22(28)19-9-12-29-25-19/h3-6,9,12,16-17H,7-8,10-11,13-15H2,1-2H3,(H,23,28)
InChIKeyJNEWDBHCVQAAQG-UHFFFAOYSA-N
XLogP3.32
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131933273
(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
CID 95135172
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 77096772
N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131894249
formic acid;N-[[1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 154913189
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914079
2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole
CID 46991593
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 124824584
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125159273

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 131933136) is N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is CC(C)Cn1c(CN2CCC(CNC(=O)c3ccon3)CC2)nc2ccccc21.
What is the InChIKey of N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JNEWDBHCVQAAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(2)14-27-20-6-4-3-5-18(20)24-21(27)15-26-10-7-17(8-11-26)13-23-22(28)19-9-12-29-25-19/h3-6,9,12,16-17H,7-8,10-11,13-15H2,1-2H3,(H,23,28).
What are the key properties of N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131933136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).