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

C16H12F2N4O3 — CID 169290288

IUPAC4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C16H12F2N4O3/c17-13(18)16-22-21-15(25-16)10-1-4-11(20-7-10)8-24-12-5-2-9(3-6-12)14(19)23/h1-7,13H,8H2,(H2,19,23)
InChIKeyDZKGDNJKJDEARF-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.75
Rot. Bonds6

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

4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide (PubChem CID 169290288) has the molecular formula C16H12F2N4O3 and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide
PubChem CID169290288
Molecular FormulaC16H12F2N4O3
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C16H12F2N4O3/c17-13(18)16-22-21-15(25-16)10-1-4-11(20-7-10)8-24-12-5-2-9(3-6-12)14(19)23/h1-7,13H,8H2,(H2,19,23)
InChIKeyDZKGDNJKJDEARF-UHFFFAOYSA-N
XLogP2.75
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]benzamide?
The IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide (CID 169290288) is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide.
What is the SMILES notation for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide?
The canonical SMILES for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide is NC(=O)c1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)cc1.
What is the InChIKey of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide?
The InChIKey is DZKGDNJKJDEARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3/c17-13(18)16-22-21-15(25-16)10-1-4-11(20-7-10)8-24-12-5-2-9(3-6-12)14(19)23/h1-7,13H,8H2,(H2,19,23).
What are the key properties of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide?
4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzamide has a molecular weight of 346.29 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]benzamide is sourced from PubChem (CID 169290288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).