ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate

C26H30N2O4 — CID 95853617

IUPACethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C26H30N2O4/c1-3-31-25(30)26(11-13-28(14-12-26)18-20-5-4-6-22(29)15-20)17-23-16-24(27-32-23)21-9-7-19(2)8-10-21/h4-10,15-16,29H,3,11-14,17-18H2,1-2H3
InChIKeyRSQJSZJSXLWIAP-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.74
Rot. Bonds7

About ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 95853617) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID95853617
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Nameethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C26H30N2O4/c1-3-31-25(30)26(11-13-28(14-12-26)18-20-5-4-6-22(29)15-20)17-23-16-24(27-32-23)21-9-7-19(2)8-10-21/h4-10,15-16,29H,3,11-14,17-18H2,1-2H3
InChIKeyRSQJSZJSXLWIAP-UHFFFAOYSA-N
XLogP4.74
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853601
ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853614
ethyl 4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 92592926
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 95853716
ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 95853676
ethyl 1-[(1S,2S)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
CID 92592889
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
CID 92592890
ethyl (3S)-3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 95853666
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 95853639
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 95853634
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592803

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate (CID 95853617) is ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is RSQJSZJSXLWIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-3-31-25(30)26(11-13-28(14-12-26)18-20-5-4-6-22(29)15-20)17-23-16-24(27-32-23)21-9-7-19(2)8-10-21/h4-10,15-16,29H,3,11-14,17-18H2,1-2H3.
What are the key properties of ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 95853617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).