N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide

C18H16FN3O3 — CID 60523533

IUPACN'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
SMILESN/C(COc1ccccc1)=N\OCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H16FN3O3/c19-14-6-4-5-13(9-14)18-21-15(10-24-18)11-25-22-17(20)12-23-16-7-2-1-3-8-16/h1-10H,11-12H2,(H2,20,22)
InChIKeyMTHFYUKBNZYZTE-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.35
Rot. Bonds7

About N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide

N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide (PubChem CID 60523533) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide.

Molecular Properties

Compound NameN'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
PubChem CID60523533
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
SMILESN/C(COc1ccccc1)=N\OCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H16FN3O3/c19-14-6-4-5-13(9-14)18-21-15(10-24-18)11-25-22-17(20)12-23-16-7-2-1-3-8-16/h1-10H,11-12H2,(H2,20,22)
InChIKeyMTHFYUKBNZYZTE-UHFFFAOYSA-N
XLogP3.35
TPSA82.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide
CID 60548010
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
CID 56682804
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392291
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347
N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide
CID 51110503
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide?
The IUPAC name of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide (CID 60523533) is N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide.
What is the SMILES notation for N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide?
The canonical SMILES for N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide is N/C(COc1ccccc1)=N\OCc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide?
The InChIKey is MTHFYUKBNZYZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-6-4-5-13(9-14)18-21-15(10-24-18)11-25-22-17(20)12-23-16-7-2-1-3-8-16/h1-10H,11-12H2,(H2,20,22).
What are the key properties of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide?
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide has a molecular weight of 341.34 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide is sourced from PubChem (CID 60523533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).