1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone

C29H33F3N4O3 — CID 58429069

IUPAC1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(OCc5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C29H33F3N4O3/c1-20-6-5-13-36(18-20)28-34-27(29(30,31)32)26(39-28)24(37)16-22-9-10-25(33-17-22)35-14-11-23(12-15-35)38-19-21-7-3-2-4-8-21/h2-4,7-10,17,20,23H,5-6,11-16,18-19H2,1H3
InChIKeyOJJPBUREXSHWMP-UHFFFAOYSA-N
MW542.60 g/mol
LogP5.94
Rot. Bonds8

About 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone

1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 58429069) has the molecular formula C29H33F3N4O3 and a molecular weight of 542.60 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID58429069
Molecular FormulaC29H33F3N4O3
Molecular Weight542.60 g/mol
Exact Mass542.25
IUPAC Name1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(OCc5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C29H33F3N4O3/c1-20-6-5-13-36(18-20)28-34-27(29(30,31)32)26(39-28)24(37)16-22-9-10-25(33-17-22)35-14-11-23(12-15-35)38-19-21-7-3-2-4-8-21/h2-4,7-10,17,20,23H,5-6,11-16,18-19H2,1H3
InChIKeyOJJPBUREXSHWMP-UHFFFAOYSA-N
XLogP5.94
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
4-Methyl-2-phenyl-oxazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 57401962
1-[(1-{[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)carbonyl]-4-pyridin-2-ylpiperazine
CID 3239292
[1-[[5-Methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 5309518
3-(4-{[2-(2,3-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)-2,5-dimethylpyrazine
CID 16187555
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
Ethyl 1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylate
CID 72545307
Ethyl 2-[1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 72545308
Ethyl 4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 72545309
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069006
[1-[[2-(3-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 5309347

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone (CID 58429069) is 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCC(OCc5ccccc5)CC4)nc3)o2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is OJJPBUREXSHWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N4O3/c1-20-6-5-13-36(18-20)28-34-27(29(30,31)32)26(39-28)24(37)16-22-9-10-25(33-17-22)35-14-11-23(12-15-35)38-19-21-7-3-2-4-8-21/h2-4,7-10,17,20,23H,5-6,11-16,18-19H2,1H3.
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone?
1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 542.60 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58429069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).