[5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol

C31H34N2O3 — CID 143736583

IUPAC[5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol
SMILESCCC1CCN(Cc2cnc(C(O)(c3ccccc3)c3ccccc3)o2)CC1COc1ccccc1
InChIInChI=1S/C31H34N2O3/c1-2-24-18-19-33(21-25(24)23-35-28-16-10-5-11-17-28)22-29-20-32-30(36-29)31(34,26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-17,20,24-25,34H,2,18-19,21-23H2,1H3
InChIKeyJDZAPFGTYOUCGN-UHFFFAOYSA-N
MW482.62 g/mol
LogP5.89
Rot. Bonds9

About [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol

[5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol (PubChem CID 143736583) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol
PubChem CID143736583
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC Name[5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol
SMILESCCC1CCN(Cc2cnc(C(O)(c3ccccc3)c3ccccc3)o2)CC1COc1ccccc1
InChIInChI=1S/C31H34N2O3/c1-2-24-18-19-33(21-25(24)23-35-28-16-10-5-11-17-28)22-29-20-32-30(36-29)31(34,26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-17,20,24-25,34H,2,18-19,21-23H2,1H3
InChIKeyJDZAPFGTYOUCGN-UHFFFAOYSA-N
XLogP5.89
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 59317029
[5-[[(3R)-3-(3-fluorophenyl)sulfanyl-4-propylpiperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 59226166
cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 143736568
[5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 71069907
[5-[[(3R)-4-ethyl-3-phenoxypiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol
CID 143736489
[5-[[3-(3-chloro-4-methylphenoxy)-4-ethylpiperidin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 143736492
(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
CID 59317031
(R)-cyclohexyl-phenyl-[5-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
CID 59317092
[5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol
CID 143736447
[5-[2-(methylamino)ethyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 69168928
cyclohexyl-[5-[(4-ethyl-3-phenoxypiperidin-1-ium-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 143736468
diphenyl-[5-[[(3R)-3-[4-(trifluoromethyl)phenoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-1,3-oxazol-2-yl]methanol
CID 59226111

Frequently Asked Questions

What is the IUPAC name of [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The IUPAC name of [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol (CID 143736583) is [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The canonical SMILES for [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol is CCC1CCN(Cc2cnc(C(O)(c3ccccc3)c3ccccc3)o2)CC1COc1ccccc1.
What is the InChIKey of [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The InChIKey is JDZAPFGTYOUCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c1-2-24-18-19-33(21-25(24)23-35-28-16-10-5-11-17-28)22-29-20-32-30(36-29)31(34,26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-17,20,24-25,34H,2,18-19,21-23H2,1H3.
What are the key properties of [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
[5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol has a molecular weight of 482.62 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 143736583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).