[5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol

C30H30N2O3 — CID 71069907

IUPAC[5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ncc(CN2CC(Oc3ccccc3)C3CCC2C3)o1
InChIInChI=1S/C30H30N2O3/c33-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)29-31-19-27(35-29)20-32-21-28(22-16-17-25(32)18-22)34-26-14-8-3-9-15-26/h1-15,19,22,25,28,33H,16-18,20-21H2
InChIKeyOTLJPCXJKYPEHY-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.39
Rot. Bonds7

About [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol

[5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol (PubChem CID 71069907) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
PubChem CID71069907
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name[5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ncc(CN2CC(Oc3ccccc3)C3CCC2C3)o1
InChIInChI=1S/C30H30N2O3/c33-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)29-31-19-27(35-29)20-32-21-28(22-16-17-25(32)18-22)34-26-14-8-3-9-15-26/h1-15,19,22,25,28,33H,16-18,20-21H2
InChIKeyOTLJPCXJKYPEHY-UHFFFAOYSA-N
XLogP5.39
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The IUPAC name of [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol (CID 71069907) is [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The canonical SMILES for [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1ncc(CN2CC(Oc3ccccc3)C3CCC2C3)o1.
What is the InChIKey of [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
The InChIKey is OTLJPCXJKYPEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c33-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)29-31-19-27(35-29)20-32-21-28(22-16-17-25(32)18-22)34-26-14-8-3-9-15-26/h1-15,19,22,25,28,33H,16-18,20-21H2.
What are the key properties of [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol?
[5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol has a molecular weight of 466.58 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-phenoxy-2-azabicyclo[3.2.1]octan-2-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 71069907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).