5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

C17H14F3N3O — CID 2742578

IUPAC5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-3-11-4-6-12(7-5-11)16-22-15(23-24-16)14-9-8-13(10-21-14)17(18,19)20/h4-10H,2-3H2,1H3
InChIKeyQJOPFWLVTIQFEW-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.77
Rot. Bonds4

About 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 2742578) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID2742578
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-3-11-4-6-12(7-5-11)16-22-15(23-24-16)14-9-8-13(10-21-14)17(18,19)20/h4-10H,2-3H2,1H3
InChIKeyQJOPFWLVTIQFEW-UHFFFAOYSA-N
XLogP4.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 2742578) is 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is CCCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1.
What is the InChIKey of 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is QJOPFWLVTIQFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-2-3-11-4-6-12(7-5-11)16-22-15(23-24-16)14-9-8-13(10-21-14)17(18,19)20/h4-10H,2-3H2,1H3.
What are the key properties of 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 333.31 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2742578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).