[5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol

C23H27N3O3 — CID 70384935

IUPAC[5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol
SMILESCOc1ccc(C(O)(c2ccccc2)N2COC(C3CN4CCC3CC4)=N2)cc1
InChIInChI=1S/C23H27N3O3/c1-28-20-9-7-19(8-10-20)23(27,18-5-3-2-4-6-18)26-16-29-22(24-26)21-15-25-13-11-17(21)12-14-25/h2-10,17,21,27H,11-16H2,1H3
InChIKeyDZUUWMBZXKWMDX-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.83
Rot. Bonds5

About [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol

[5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol (PubChem CID 70384935) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol.

Molecular Properties

Compound Name[5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol
PubChem CID70384935
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol
SMILESCOc1ccc(C(O)(c2ccccc2)N2COC(C3CN4CCC3CC4)=N2)cc1
InChIInChI=1S/C23H27N3O3/c1-28-20-9-7-19(8-10-20)23(27,18-5-3-2-4-6-18)26-16-29-22(24-26)21-15-25-13-11-17(21)12-14-25/h2-10,17,21,27H,11-16H2,1H3
InChIKeyDZUUWMBZXKWMDX-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol?
The IUPAC name of [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol (CID 70384935) is [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol.
What is the SMILES notation for [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol?
The canonical SMILES for [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol is COc1ccc(C(O)(c2ccccc2)N2COC(C3CN4CCC3CC4)=N2)cc1.
What is the InChIKey of [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol?
The InChIKey is DZUUWMBZXKWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-20-9-7-19(8-10-20)23(27,18-5-3-2-4-6-18)26-16-29-22(24-26)21-15-25-13-11-17(21)12-14-25/h2-10,17,21,27H,11-16H2,1H3.
What are the key properties of [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol?
[5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol has a molecular weight of 393.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-azabicyclo[2.2.2]octan-3-yl)-2H-1,3,4-oxadiazol-3-yl]-(4-methoxyphenyl)-phenylmethanol is sourced from PubChem (CID 70384935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).