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

C15H13N3O — CID 795427

IUPAC5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-2-6-12(7-3-1)9-10-14-17-15(18-19-14)13-8-4-5-11-16-13/h1-8,11H,9-10H2
InChIKeyBGOWGSGRCRINQG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.92
Rot. Bonds4

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

5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 795427) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID795427
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-2-6-12(7-3-1)9-10-14-17-15(18-19-14)13-8-4-5-11-16-13/h1-8,11H,9-10H2
InChIKeyBGOWGSGRCRINQG-UHFFFAOYSA-N
XLogP2.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-9272
CID 9838729
Azd6538
CID 9879103
VU0285683
CID 9816778
2-[5-(1-Naphthyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 757874
Psn-375,963
CID 2875918
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
1-(3-(6-Iodopyridin-2-yl)-1,2,4-oxadiazol-5-yl)-7-phenylheptan-1-one
CID 24949224
7-Phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(3-Nitrophenyl)-3-(2-pyridyl)-1,2,4-oxadiazole
CID 867096
5-(Cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 935651
2-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 650707

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 795427) is 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(CCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is BGOWGSGRCRINQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-6-12(7-3-1)9-10-14-17-15(18-19-14)13-8-4-5-11-16-13/h1-8,11H,9-10H2.
What are the key properties of 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 251.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 795427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).