methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate

C36H37F3N4O5 — CID 58429053

IUPACmethyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC1CCN(c2ccc(CC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C36H37F3N4O5/c1-46-34(45)28-9-5-6-10-30(28)47-23-24-13-17-42(18-14-24)31-12-11-25(22-40-31)21-29(44)32-33(36(37,38)39)41-35(48-32)43-19-15-27(16-20-43)26-7-3-2-4-8-26/h2-12,22,24,27H,13-21,23H2,1H3
InChIKeyCHQBHMXTPRSUIU-UHFFFAOYSA-N
MW662.71 g/mol
LogP6.98
Rot. Bonds10

About methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate

methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate (PubChem CID 58429053) has the molecular formula C36H37F3N4O5 and a molecular weight of 662.71 g/mol. Its IUPAC name is methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate
PubChem CID58429053
Molecular FormulaC36H37F3N4O5
Molecular Weight662.71 g/mol
Exact Mass662.27
IUPAC Namemethyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC1CCN(c2ccc(CC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C36H37F3N4O5/c1-46-34(45)28-9-5-6-10-30(28)47-23-24-13-17-42(18-14-24)31-12-11-25(22-40-31)21-29(44)32-33(36(37,38)39)41-35(48-32)43-19-15-27(16-20-43)26-7-3-2-4-8-26/h2-12,22,24,27H,13-21,23H2,1H3
InChIKeyCHQBHMXTPRSUIU-UHFFFAOYSA-N
XLogP6.98
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.71
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208314
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
US20240189315, Example 24
CID 171560712
2-[[1-[5-[[2-(4-Phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208315
3-[[1-[5-[[2-(4-Phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208439
4-Fluoro-3-[[1-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208440
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46211944
4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid
CID 46833808
Methyl 3-[[1-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]oxymethyl]benzoate
CID 57485460
(3S)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 58428464
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428477

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate?
The IUPAC name of methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate (CID 58429053) is methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate.
What is the SMILES notation for methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate?
The canonical SMILES for methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate is COC(=O)c1ccccc1OCC1CCN(c2ccc(CC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate?
The InChIKey is CHQBHMXTPRSUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F3N4O5/c1-46-34(45)28-9-5-6-10-30(28)47-23-24-13-17-42(18-14-24)31-12-11-25(22-40-31)21-29(44)32-33(36(37,38)39)41-35(48-32)43-19-15-27(16-20-43)26-7-3-2-4-8-26/h2-12,22,24,27H,13-21,23H2,1H3.
What are the key properties of methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate?
methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate has a molecular weight of 662.71 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate is sourced from PubChem (CID 58429053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).