5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide

C16H14FN5O2 — CID 4860676

IUPAC5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide
SMILESCc1nc(C)c(-c2nnc(-c3ccccc3F)o2)cc1C(=O)NN
InChIInChI=1S/C16H14FN5O2/c1-8-11(14(23)20-18)7-12(9(2)19-8)16-22-21-15(24-16)10-5-3-4-6-13(10)17/h3-7H,18H2,1-2H3,(H,20,23)
InChIKeyJGQZXPCJJYWYMF-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.16
Rot. Bonds3

About 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide

5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide (PubChem CID 4860676) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide
PubChem CID4860676
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide
SMILESCc1nc(C)c(-c2nnc(-c3ccccc3F)o2)cc1C(=O)NN
InChIInChI=1S/C16H14FN5O2/c1-8-11(14(23)20-18)7-12(9(2)19-8)16-22-21-15(24-16)10-5-3-4-6-13(10)17/h3-7H,18H2,1-2H3,(H,20,23)
InChIKeyJGQZXPCJJYWYMF-UHFFFAOYSA-N
XLogP2.16
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
The IUPAC name of 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide (CID 4860676) is 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide.
What is the SMILES notation for 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
The canonical SMILES for 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide is Cc1nc(C)c(-c2nnc(-c3ccccc3F)o2)cc1C(=O)NN.
What is the InChIKey of 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
The InChIKey is JGQZXPCJJYWYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-8-11(14(23)20-18)7-12(9(2)19-8)16-22-21-15(24-16)10-5-3-4-6-13(10)17/h3-7H,18H2,1-2H3,(H,20,23).
What are the key properties of 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide has a molecular weight of 327.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide is sourced from PubChem (CID 4860676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).