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

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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).