N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide

C17H12FIN2O2 — CID 16866881

IUPACN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1I
InChIInChI=1S/C17H12FIN2O2/c18-12-7-5-11(6-8-12)16-9-13(21-23-16)10-20-17(22)14-3-1-2-4-15(14)19/h1-9H,10H2,(H,20,22)
InChIKeyHWSOFALJTZOPPU-UHFFFAOYSA-N
MW422.20 g/mol
LogP4.02
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide (PubChem CID 16866881) has the molecular formula C17H12FIN2O2 and a molecular weight of 422.20 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
PubChem CID16866881
Molecular FormulaC17H12FIN2O2
Molecular Weight422.20 g/mol
Exact Mass421.99
IUPAC NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1I
InChIInChI=1S/C17H12FIN2O2/c18-12-7-5-11(6-8-12)16-9-13(21-23-16)10-20-17(22)14-3-1-2-4-15(14)19/h1-9H,10H2,(H,20,22)
InChIKeyHWSOFALJTZOPPU-UHFFFAOYSA-N
XLogP4.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 45497787
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866628
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 16867217
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
2-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866508
3-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 16866948

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide (CID 16866881) is N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide is O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1I.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide?
The InChIKey is HWSOFALJTZOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FIN2O2/c18-12-7-5-11(6-8-12)16-9-13(21-23-16)10-20-17(22)14-3-1-2-4-15(14)19/h1-9H,10H2,(H,20,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide?
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide has a molecular weight of 422.20 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide is sourced from PubChem (CID 16866881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).