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

C35H34F3N5O5 — CID 58429154

IUPACmethyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCN(c3ccc(CC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2=O)c1
InChIInChI=1S/C35H34F3N5O5/c1-47-33(46)27-9-5-6-24(18-27)21-43-17-16-42(22-30(43)45)29-11-10-23(20-39-29)19-28(44)31-32(35(36,37)38)40-34(48-31)41-14-12-26(13-15-41)25-7-3-2-4-8-25/h2-11,18,20,26H,12-17,19,21-22H2,1H3
InChIKeyUXVFCQALWVPEJM-UHFFFAOYSA-N
MW661.68 g/mol
LogP5.53
Rot. Bonds9

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

methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate (PubChem CID 58429154) has the molecular formula C35H34F3N5O5 and a molecular weight of 661.68 g/mol. Its IUPAC name is methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate
PubChem CID58429154
Molecular FormulaC35H34F3N5O5
Molecular Weight661.68 g/mol
Exact Mass661.25
IUPAC Namemethyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCN(c3ccc(CC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2=O)c1
InChIInChI=1S/C35H34F3N5O5/c1-47-33(46)27-9-5-6-24(18-27)21-43-17-16-42(22-30(43)45)29-11-10-23(20-39-29)19-28(44)31-32(35(36,37)38)40-34(48-31)41-14-12-26(13-15-41)25-7-3-2-4-8-25/h2-11,18,20,26H,12-17,19,21-22H2,1H3
InChIKeyUXVFCQALWVPEJM-UHFFFAOYSA-N
XLogP5.53
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.68
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

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
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
4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-ylpyridin-3-yl]-6-methoxypyridin-3-yl]-3-methylbenzoic acid
CID 72190614
tert-butyl 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-ylpyridin-3-yl]-6-methoxypyridin-3-yl]-3-methylbenzoate
CID 118030751
1-({5-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-4-(2-pyridinyl)piperazine
CID 16192406
US20250084084, Example 173
CID 166585480
[5-(3-Methylphenyl)-1,3-oxazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 126470532
2-(2-fluorophenyl)-4-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16067539

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate (CID 58429154) is methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate is COC(=O)c1cccc(CN2CCN(c3ccc(CC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2=O)c1.
What is the InChIKey of methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate?
The InChIKey is UXVFCQALWVPEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N5O5/c1-47-33(46)27-9-5-6-24(18-27)21-43-17-16-42(22-30(43)45)29-11-10-23(20-39-29)19-28(44)31-32(35(36,37)38)40-34(48-31)41-14-12-26(13-15-41)25-7-3-2-4-8-25/h2-11,18,20,26H,12-17,19,21-22H2,1H3.
What are the key properties of methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate?
methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate has a molecular weight of 661.68 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-oxo-4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]methyl]benzoate is sourced from PubChem (CID 58429154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).