[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol

C28H28N2O3 — CID 59317029

IUPAC[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ncc(CN2CCC(Oc3ccccc3)CC2)o1
InChIInChI=1S/C28H28N2O3/c31-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)27-29-20-26(33-27)21-30-18-16-25(17-19-30)32-24-14-8-3-9-15-24/h1-15,20,25,31H,16-19,21H2
InChIKeyAFVAVDDLQIKXDS-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.00
Rot. Bonds7

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

[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol (PubChem CID 59317029) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
PubChem CID59317029
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ncc(CN2CCC(Oc3ccccc3)CC2)o1
InChIInChI=1S/C28H28N2O3/c31-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)27-29-20-26(33-27)21-30-18-16-25(17-19-30)32-24-14-8-3-9-15-24/h1-15,20,25,31H,16-19,21H2
InChIKeyAFVAVDDLQIKXDS-UHFFFAOYSA-N
XLogP5.00
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The IUPAC name of [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol (CID 59317029) is [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The canonical SMILES for [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1ncc(CN2CCC(Oc3ccccc3)CC2)o1.
What is the InChIKey of [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The InChIKey is AFVAVDDLQIKXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)27-29-20-26(33-27)21-30-18-16-25(17-19-30)32-24-14-8-3-9-15-24/h1-15,20,25,31H,16-19,21H2.
What are the key properties of [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol has a molecular weight of 440.54 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 59317029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).