4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide

C5H6FN3O2 — CID 172561389

IUPAC4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1onc(C(=O)NN)c1F
InChIInChI=1S/C5H6FN3O2/c1-2-3(6)4(9-11-2)5(10)8-7/h7H2,1H3,(H,8,10)
InChIKeyFUTPSCMMRVGBIL-UHFFFAOYSA-N
MW159.12 g/mol
LogP-0.27
Rot. Bonds1

About 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide

4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 172561389) has the molecular formula C5H6FN3O2 and a molecular weight of 159.12 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID172561389
Molecular FormulaC5H6FN3O2
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1onc(C(=O)NN)c1F
InChIInChI=1S/C5H6FN3O2/c1-2-3(6)4(9-11-2)5(10)8-7/h7H2,1H3,(H,8,10)
InChIKeyFUTPSCMMRVGBIL-UHFFFAOYSA-N
XLogP-0.27
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide (CID 172561389) is 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1onc(C(=O)NN)c1F.
What is the InChIKey of 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is FUTPSCMMRVGBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2/c1-2-3(6)4(9-11-2)5(10)8-7/h7H2,1H3,(H,8,10).
What are the key properties of 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide?
4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 159.12 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 172561389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).