5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide

C11H9F2N3O2S — CID 63581387

IUPAC5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CSc2cc(F)ccc2F)on1
InChIInChI=1S/C11H9F2N3O2S/c12-6-1-2-8(13)10(3-6)19-5-7-4-9(16-18-7)11(17)15-14/h1-4H,5,14H2,(H,15,17)
InChIKeyFMDGTKMZWCJWTG-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.85
Rot. Bonds4

About 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide

5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63581387) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63581387
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.27 g/mol
Exact Mass285.04
IUPAC Name5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CSc2cc(F)ccc2F)on1
InChIInChI=1S/C11H9F2N3O2S/c12-6-1-2-8(13)10(3-6)19-5-7-4-9(16-18-7)11(17)15-14/h1-4H,5,14H2,(H,15,17)
InChIKeyFMDGTKMZWCJWTG-UHFFFAOYSA-N
XLogP1.85
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.85
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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Related Compounds

5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397385
5-[(4-amino-2-bromophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 82840690
2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580649
5-[(2-nitrophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63580656
5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63582283
5-[(4-methylsulfonylphenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63591174
5-(benzylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63581894
5-(3-hydroxybutan-2-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 107772095
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63581188
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
5-(2,5-difluorophenyl)sulfanylpentanehydrazide
CID 55215054

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide (CID 63581387) is 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(CSc2cc(F)ccc2F)on1.
What is the InChIKey of 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is FMDGTKMZWCJWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c12-6-1-2-8(13)10(3-6)19-5-7-4-9(16-18-7)11(17)15-14/h1-4H,5,14H2,(H,15,17).
What are the key properties of 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide?
5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 285.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63581387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).