5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide

C11H9F2N3O3 — CID 55214004

IUPAC5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2cccc(F)c2F)on1
InChIInChI=1S/C11H9F2N3O3/c12-7-2-1-3-9(10(7)13)18-5-6-4-8(16-19-6)11(17)15-14/h1-4H,5,14H2,(H,15,17)
InChIKeyCGWWICMHVQBBNF-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.14
Rot. Bonds4

About 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide

5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 55214004) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID55214004
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2cccc(F)c2F)on1
InChIInChI=1S/C11H9F2N3O3/c12-7-2-1-3-9(10(7)13)18-5-6-4-8(16-19-6)11(17)15-14/h1-4H,5,14H2,(H,15,17)
InChIKeyCGWWICMHVQBBNF-UHFFFAOYSA-N
XLogP1.14
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.14
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'}

Analyze 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 107661607
5-[(3-methylsulfonylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569829
[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]methanol
CID 113372456
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576481
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959
[5-[(2,3-difluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765837

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (CID 55214004) is 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COc2cccc(F)c2F)on1.
What is the InChIKey of 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is CGWWICMHVQBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c12-7-2-1-3-9(10(7)13)18-5-6-4-8(16-19-6)11(17)15-14/h1-4H,5,14H2,(H,15,17).
What are the key properties of 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 269.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55214004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).