[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate

C17H11FINO3 — CID 32646400

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(I)cc1
InChIInChI=1S/C17H11FINO3/c18-13-5-1-11(2-6-13)16-20-15(9-22-16)10-23-17(21)12-3-7-14(19)8-4-12/h1-9H,10H2
InChIKeyHMVITHKMSJASCI-UHFFFAOYSA-N
MW423.18 g/mol
LogP4.44
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate (PubChem CID 32646400) has the molecular formula C17H11FINO3 and a molecular weight of 423.18 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
PubChem CID32646400
Molecular FormulaC17H11FINO3
Molecular Weight423.18 g/mol
Exact Mass422.98
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(I)cc1
InChIInChI=1S/C17H11FINO3/c18-13-5-1-11(2-6-13)16-20-15(9-22-16)10-23-17(21)12-3-7-14(19)8-4-12/h1-9H,10H2
InChIKeyHMVITHKMSJASCI-UHFFFAOYSA-N
XLogP4.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
(2-phenyl-1,3-oxazol-4-yl)methyl 4-nitrobenzoate
CID 18126093
(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500587
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711
methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
CID 58119372
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
CID 55543565
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
CID 55539141
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55543684
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate (CID 32646400) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate is O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(I)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate?
The InChIKey is HMVITHKMSJASCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FINO3/c18-13-5-1-11(2-6-13)16-20-15(9-22-16)10-23-17(21)12-3-7-14(19)8-4-12/h1-9H,10H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate has a molecular weight of 423.18 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate is sourced from PubChem (CID 32646400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).