5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C20H14FN3O — CID 70928051

IUPAC5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESFCc1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1
InChIInChI=1S/C20H14FN3O/c21-12-17-11-15(8-9-18(17)14-5-2-1-3-6-14)20-23-19(24-25-20)16-7-4-10-22-13-16/h1-11,13H,12H2
InChIKeyHMKRSUWHJNYLNV-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.94
Rot. Bonds4

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

5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 70928051) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID70928051
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESFCc1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1
InChIInChI=1S/C20H14FN3O/c21-12-17-11-15(8-9-18(17)14-5-2-1-3-6-14)20-23-19(24-25-20)16-7-4-10-22-13-16/h1-11,13H,12H2
InChIKeyHMKRSUWHJNYLNV-UHFFFAOYSA-N
XLogP4.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 70928051) is 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is FCc1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1.
What is the InChIKey of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is HMKRSUWHJNYLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-12-17-11-15(8-9-18(17)14-5-2-1-3-6-14)20-23-19(24-25-20)16-7-4-10-22-13-16/h1-11,13H,12H2.
What are the key properties of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 331.35 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 70928051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).