2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole

C23H19N3O — CID 58366285

IUPAC2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESC=C(Cc1ccc(-c2ccccc2)cc1)Cc1nnc(-c2ccccn2)o1
InChIInChI=1S/C23H19N3O/c1-17(16-22-25-26-23(27-22)21-9-5-6-14-24-21)15-18-10-12-20(13-11-18)19-7-3-2-4-8-19/h2-14H,1,15-16H2
InChIKeyKUBGOXSBIAMAPG-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.14
Rot. Bonds6

About 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 58366285) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID58366285
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESC=C(Cc1ccc(-c2ccccc2)cc1)Cc1nnc(-c2ccccn2)o1
InChIInChI=1S/C23H19N3O/c1-17(16-22-25-26-23(27-22)21-9-5-6-14-24-21)15-18-10-12-20(13-11-18)19-7-3-2-4-8-19/h2-14H,1,15-16H2
InChIKeyKUBGOXSBIAMAPG-UHFFFAOYSA-N
XLogP5.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanol
CID 83530769
2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 44577785
2-(4-chlorophenyl)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320533
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110318515
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
CID 24949380
2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
CID 135057697
2,5-bis(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazole
CID 143438639

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 58366285) is 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole is C=C(Cc1ccc(-c2ccccc2)cc1)Cc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is KUBGOXSBIAMAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17(16-22-25-26-23(27-22)21-9-5-6-14-24-21)15-18-10-12-20(13-11-18)19-7-3-2-4-8-19/h2-14H,1,15-16H2.
What are the key properties of 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 353.43 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 58366285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).