3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C22H17N3O2 — CID 44577784

IUPAC3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C22H17N3O2/c26-20(22-25-24-21(27-22)19-8-4-5-15-23-19)14-11-16-9-12-18(13-10-16)17-6-2-1-3-7-17/h1-10,12-13,15H,11,14H2
InChIKeyPUEPFOLUHNYZSB-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.61
Rot. Bonds6

About 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 44577784) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID44577784
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C22H17N3O2/c26-20(22-25-24-21(27-22)19-8-4-5-15-23-19)14-11-16-9-12-18(13-10-16)17-6-2-1-3-7-17/h1-10,12-13,15H,11,14H2
InChIKeyPUEPFOLUHNYZSB-UHFFFAOYSA-N
XLogP4.61
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

OL-135
CID 10427006
7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-hexylphenyl)heptane
CID 16735350
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(1-naphthyl)heptane
CID 16735380
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(o-tolyl)heptane
CID 16735381
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(p-tolyl)heptane
CID 16735382
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 16736220
3-[4-(Phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16736227

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 44577784) is 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)c1nnc(-c2ccccn2)o1.
What is the InChIKey of 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is PUEPFOLUHNYZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-20(22-25-24-21(27-22)19-8-4-5-15-23-19)14-11-16-9-12-18(13-10-16)17-6-2-1-3-7-17/h1-10,12-13,15H,11,14H2.
What are the key properties of 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 355.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 44577784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).