2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

C26H28N4O3 — CID 42437655

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(n2c(COc3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C26H28N4O3/c1-18-22(19(2)33-28-18)16-26(31)29-14-12-20(13-15-29)30-24-11-7-6-10-23(24)27-25(30)17-32-21-8-4-3-5-9-21/h3-11,20H,12-17H2,1-2H3
InChIKeyJERFTOWMXDVEJA-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.63
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 42437655) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
PubChem CID42437655
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(n2c(COc3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C26H28N4O3/c1-18-22(19(2)33-28-18)16-26(31)29-14-12-20(13-15-29)30-24-11-7-6-10-23(24)27-25(30)17-32-21-8-4-3-5-9-21/h3-11,20H,12-17H2,1-2H3
InChIKeyJERFTOWMXDVEJA-UHFFFAOYSA-N
XLogP4.63
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 71709857
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
3-[2-[4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 45234278
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566099
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone
CID 86877703
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
CID 139027517
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
N-[3-(benzimidazol-1-yl)propyl]-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carboxamide
CID 86879784
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (CID 42437655) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCC(n2c(COc3ccccc3)nc3ccccc32)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is JERFTOWMXDVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18-22(19(2)33-28-18)16-26(31)29-14-12-20(13-15-29)30-24-11-7-6-10-23(24)27-25(30)17-32-21-8-4-3-5-9-21/h3-11,20H,12-17H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 444.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 42437655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).