5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C21H17N3O — CID 752713

IUPAC5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(C(Cc2nc(-c3ccncc3)no2)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-20-23-21(24-25-20)18-11-13-22-14-12-18/h1-14,19H,15H2
InChIKeyJYPYYFFRWXFBTB-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.51
Rot. Bonds5

About 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 752713) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID752713
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(C(Cc2nc(-c3ccncc3)no2)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-20-23-21(24-25-20)18-11-13-22-14-12-18/h1-14,19H,15H2
InChIKeyJYPYYFFRWXFBTB-UHFFFAOYSA-N
XLogP4.51
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
3,3-dimethyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347365
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 43102262
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 102236251
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115528982
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 752713) is 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(C(Cc2nc(-c3ccncc3)no2)c2ccccc2)cc1.
What is the InChIKey of 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is JYPYYFFRWXFBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-20-23-21(24-25-20)18-11-13-22-14-12-18/h1-14,19H,15H2.
What are the key properties of 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 752713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).