4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide

C15H10F3N5O3 — CID 166185456

IUPAC4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccncc2)no1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H10F3N5O3/c16-10-7-9(1-2-11(10)25-14(17)18)13(24)21-22-15-20-12(23-26-15)8-3-5-19-6-4-8/h1-7,14H,(H,21,24)(H,20,22,23)
InChIKeyKSDIADXFCXEZOT-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.63
Rot. Bonds6

About 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide

4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide (PubChem CID 166185456) has the molecular formula C15H10F3N5O3 and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
PubChem CID166185456
Molecular FormulaC15H10F3N5O3
Molecular Weight365.27 g/mol
Exact Mass365.07
IUPAC Name4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccncc2)no1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H10F3N5O3/c16-10-7-9(1-2-11(10)25-14(17)18)13(24)21-22-15-20-12(23-26-15)8-3-5-19-6-4-8/h1-7,14H,(H,21,24)(H,20,22,23)
InChIKeyKSDIADXFCXEZOT-UHFFFAOYSA-N
XLogP2.63
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide (CID 166185456) is 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide is O=C(NNc1nc(-c2ccncc2)no1)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The InChIKey is KSDIADXFCXEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O3/c16-10-7-9(1-2-11(10)25-14(17)18)13(24)21-22-15-20-12(23-26-15)8-3-5-19-6-4-8/h1-7,14H,(H,21,24)(H,20,22,23).
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide has a molecular weight of 365.27 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide is sourced from PubChem (CID 166185456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).