3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide

C11H9ClFN3O2 — CID 2726197

IUPAC3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(N)=NO
InChIInChI=1S/C11H9ClFN3O2/c1-5-8(11(14)15-17)10(16-18-5)9-6(12)3-2-4-7(9)13/h2-4,17H,1H3,(H2,14,15)
InChIKeyMWHRNNMKKGAIMO-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.54
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide

3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide (PubChem CID 2726197) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide
PubChem CID2726197
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(N)=NO
InChIInChI=1S/C11H9ClFN3O2/c1-5-8(11(14)15-17)10(16-18-5)9-6(12)3-2-4-7(9)13/h2-4,17H,1H3,(H2,14,15)
InChIKeyMWHRNNMKKGAIMO-UHFFFAOYSA-N
XLogP2.54
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.54
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-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide (CID 2726197) is 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide is Cc1onc(-c2c(F)cccc2Cl)c1C(N)=NO.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide?
The InChIKey is MWHRNNMKKGAIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-5-8(11(14)15-17)10(16-18-5)9-6(12)3-2-4-7(9)13/h2-4,17H,1H3,(H2,14,15).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide?
3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide has a molecular weight of 269.66 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N'-hydroxy-5-methyl-1,2-oxazole-4-carboximidamide is sourced from PubChem (CID 2726197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).