N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide

C10H9FN4O2 — CID 118064567

IUPACN'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(F)nc2)no1
InChIInChI=1S/C10H9FN4O2/c1-6-4-8(15-17-6)10(16)14-13-7-2-3-9(11)12-5-7/h2-5,13H,1H3,(H,14,16)
InChIKeyWPUUNLDIGQBEEZ-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.27
Rot. Bonds3

About N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide

N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 118064567) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID118064567
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC NameN'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(F)nc2)no1
InChIInChI=1S/C10H9FN4O2/c1-6-4-8(15-17-6)10(16)14-13-7-2-3-9(11)12-5-7/h2-5,13H,1H3,(H,14,16)
InChIKeyWPUUNLDIGQBEEZ-UHFFFAOYSA-N
XLogP1.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 118064567) is N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNc2ccc(F)nc2)no1.
What is the InChIKey of N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is WPUUNLDIGQBEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-6-4-8(15-17-6)10(16)14-13-7-2-3-9(11)12-5-7/h2-5,13H,1H3,(H,14,16).
What are the key properties of N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 236.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 118064567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).