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

C26H30N2O4 — CID 95853601

IUPACethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C26H30N2O4/c1-3-31-25(30)26(12-14-28(15-13-26)18-20-8-10-21(29)11-9-20)17-22-16-24(27-32-22)23-7-5-4-6-19(23)2/h4-11,16,29H,3,12-15,17-18H2,1-2H3
InChIKeyUWNPWXNUAJVEAZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.74
Rot. Bonds7

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

ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 95853601) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID95853601
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Nameethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C26H30N2O4/c1-3-31-25(30)26(12-14-28(15-13-26)18-20-8-10-21(29)11-9-20)17-22-16-24(27-32-22)23-7-5-4-6-19(23)2/h4-11,16,29H,3,12-15,17-18H2,1-2H3
InChIKeyUWNPWXNUAJVEAZ-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate (CID 95853601) is ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is UWNPWXNUAJVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-3-31-25(30)26(12-14-28(15-13-26)18-20-8-10-21(29)11-9-20)17-22-16-24(27-32-22)23-7-5-4-6-19(23)2/h4-11,16,29H,3,12-15,17-18H2,1-2H3.
What are the key properties of ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[(4-hydroxyphenyl)methyl]-4-[[3-(2-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-[(4-hydroxyphenyl)methyl]-4-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 95853601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).