2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole

C21H15F2N3O2 — CID 169290330

IUPAC2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccc(-c4ccccc4)cc3)nc2)o1
InChIInChI=1S/C21H15F2N3O2/c22-19(23)21-26-25-20(28-21)16-6-9-17(24-12-16)13-27-18-10-7-15(8-11-18)14-4-2-1-3-5-14/h1-12,19H,13H2
InChIKeyREBIFZUOPFCRJS-UHFFFAOYSA-N
MW379.37 g/mol
LogP5.32
Rot. Bonds6

About 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290330) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290330
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccc(-c4ccccc4)cc3)nc2)o1
InChIInChI=1S/C21H15F2N3O2/c22-19(23)21-26-25-20(28-21)16-6-9-17(24-12-16)13-27-18-10-7-15(8-11-18)14-4-2-1-3-5-14/h1-12,19H,13H2
InChIKeyREBIFZUOPFCRJS-UHFFFAOYSA-N
XLogP5.32
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290330) is 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3ccc(-c4ccccc4)cc3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is REBIFZUOPFCRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-19(23)21-26-25-20(28-21)16-6-9-17(24-12-16)13-27-18-10-7-15(8-11-18)14-4-2-1-3-5-14/h1-12,19H,13H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 379.37 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).