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

C15H12FN5O3 — CID 166189120

IUPAC2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)c(F)c1
InChIInChI=1S/C15H12FN5O3/c1-23-10-2-3-11(12(16)8-10)14(22)19-20-15-18-13(21-24-15)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyVJFSBRSJDQLINC-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.04
Rot. Bonds5

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

2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide (PubChem CID 166189120) has the molecular formula C15H12FN5O3 and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
PubChem CID166189120
Molecular FormulaC15H12FN5O3
Molecular Weight329.29 g/mol
Exact Mass329.09
IUPAC Name2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)c(F)c1
InChIInChI=1S/C15H12FN5O3/c1-23-10-2-3-11(12(16)8-10)14(22)19-20-15-18-13(21-24-15)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyVJFSBRSJDQLINC-UHFFFAOYSA-N
XLogP2.04
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.04
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 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The IUPAC name of 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide (CID 166189120) is 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide.
What is the SMILES notation for 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The canonical SMILES for 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide is COc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The InChIKey is VJFSBRSJDQLINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3/c1-23-10-2-3-11(12(16)8-10)14(22)19-20-15-18-13(21-24-15)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide has a molecular weight of 329.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide is sourced from PubChem (CID 166189120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).