3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide

C10H10FN3O2 — CID 42647393

IUPAC3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide
SMILESN/C(=N\O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H10FN3O2/c11-7-3-1-6(2-4-7)8-5-9(16-14-8)10(12)13-15/h1-4,9,15H,5H2,(H2,12,13)
InChIKeyCELDBWJHDOPTBI-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.07
Rot. Bonds2

About 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide

3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide (PubChem CID 42647393) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide
PubChem CID42647393
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide
SMILESN/C(=N\O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H10FN3O2/c11-7-3-1-6(2-4-7)8-5-9(16-14-8)10(12)13-15/h1-4,9,15H,5H2,(H2,12,13)
InChIKeyCELDBWJHDOPTBI-UHFFFAOYSA-N
XLogP1.07
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide?
The IUPAC name of 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide (CID 42647393) is 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide is N/C(=N\O)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide?
The InChIKey is CELDBWJHDOPTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-7-3-1-6(2-4-7)8-5-9(16-14-8)10(12)13-15/h1-4,9,15H,5H2,(H2,12,13).
What are the key properties of 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide?
3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide has a molecular weight of 223.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide is sourced from PubChem (CID 42647393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).