2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide

C6H7F2N3O2S — CID 165462147

IUPAC2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
SMILESNNC(=O)C(F)(F)CSc1ncco1
InChIInChI=1S/C6H7F2N3O2S/c7-6(8,4(12)11-9)3-14-5-10-1-2-13-5/h1-2H,3,9H2,(H,11,12)
InChIKeyJCFDBGYNBVOBDX-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.39
Rot. Bonds4

About 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide

2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide (PubChem CID 165462147) has the molecular formula C6H7F2N3O2S and a molecular weight of 223.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
PubChem CID165462147
Molecular FormulaC6H7F2N3O2S
Molecular Weight223.20 g/mol
Exact Mass223.02
IUPAC Name2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
SMILESNNC(=O)C(F)(F)CSc1ncco1
InChIInChI=1S/C6H7F2N3O2S/c7-6(8,4(12)11-9)3-14-5-10-1-2-13-5/h1-2H,3,9H2,(H,11,12)
InChIKeyJCFDBGYNBVOBDX-UHFFFAOYSA-N
XLogP0.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
The IUPAC name of 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide (CID 165462147) is 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
The canonical SMILES for 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide is NNC(=O)C(F)(F)CSc1ncco1.
What is the InChIKey of 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
The InChIKey is JCFDBGYNBVOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2S/c7-6(8,4(12)11-9)3-14-5-10-1-2-13-5/h1-2H,3,9H2,(H,11,12).
What are the key properties of 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide has a molecular weight of 223.20 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 165462147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).