4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole

C16H10F2N4O3 — CID 169290176

IUPAC4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole
SMILESFC(F)c1nnc(-c2ccc(COc3cccc4ocnc34)nc2)o1
InChIInChI=1S/C16H10F2N4O3/c17-14(18)16-22-21-15(25-16)9-4-5-10(19-6-9)7-23-11-2-1-3-12-13(11)20-8-24-12/h1-6,8,14H,7H2
InChIKeyWNCBFYBNJBYNAT-UHFFFAOYSA-N
MW344.28 g/mol
LogP3.79
Rot. Bonds5

About 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole

4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole (PubChem CID 169290176) has the molecular formula C16H10F2N4O3 and a molecular weight of 344.28 g/mol. Its IUPAC name is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole
PubChem CID169290176
Molecular FormulaC16H10F2N4O3
Molecular Weight344.28 g/mol
Exact Mass344.07
IUPAC Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole
SMILESFC(F)c1nnc(-c2ccc(COc3cccc4ocnc34)nc2)o1
InChIInChI=1S/C16H10F2N4O3/c17-14(18)16-22-21-15(25-16)9-4-5-10(19-6-9)7-23-11-2-1-3-12-13(11)20-8-24-12/h1-6,8,14H,7H2
InChIKeyWNCBFYBNJBYNAT-UHFFFAOYSA-N
XLogP3.79
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole?
The IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole (CID 169290176) is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole.
What is the SMILES notation for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole?
The canonical SMILES for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole is FC(F)c1nnc(-c2ccc(COc3cccc4ocnc34)nc2)o1.
What is the InChIKey of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole?
The InChIKey is WNCBFYBNJBYNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O3/c17-14(18)16-22-21-15(25-16)9-4-5-10(19-6-9)7-23-11-2-1-3-12-13(11)20-8-24-12/h1-6,8,14H,7H2.
What are the key properties of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole?
4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole has a molecular weight of 344.28 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole is sourced from PubChem (CID 169290176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).