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

C11H9ClFN3O — CID 89291608

IUPACN'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide
SMILESCc1cc(/C(N)=N/c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C11H9ClFN3O/c1-6-4-10(16-17-6)11(14)15-7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H2,14,15)
InChIKeyHTOFFVDDYLIOPA-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.81
Rot. Bonds2

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

N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide (PubChem CID 89291608) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide
PubChem CID89291608
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC NameN'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide
SMILESCc1cc(/C(N)=N/c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C11H9ClFN3O/c1-6-4-10(16-17-6)11(14)15-7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H2,14,15)
InChIKeyHTOFFVDDYLIOPA-UHFFFAOYSA-N
XLogP2.81
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-5-[2-(methylamino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboximidamide
CID 88926787
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
1-N'-(3-chloro-4-fluorophenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 118983766
N'-(3-chloro-4-fluorophenyl)-4-[(2-hydroxyethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 89342628
N'-(3-chloro-4-fluorophenyl)-4-(tetrazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
CID 89342612
N'-(3-chloro-4-fluorophenyl)-4-[2-(4-methylsulfonylphenyl)ethyl]-1,2,5-oxadiazole-3-carboximidamide
CID 89342303
N'-(3-chloro-4-fluorophenyl)-4-[[[(1S)-1-phenylethyl]amino]methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 89342234
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
[[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-fluorophenyl)carbonimidoyl]amino] acetate
CID 11977608
2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine
CID 146728761
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide (CID 89291608) is N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide is Cc1cc(/C(N)=N/c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide?
The InChIKey is HTOFFVDDYLIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-4-10(16-17-6)11(14)15-7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H2,14,15).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide?
N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide has a molecular weight of 253.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide is sourced from PubChem (CID 89291608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).