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

C17H11ClFNO3 — CID 16869687

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
SMILESO=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFNO3/c18-13-5-1-12(2-6-13)17(21)22-10-15-9-16(23-20-15)11-3-7-14(19)8-4-11/h1-9H,10H2
InChIKeyUFOXARQIZFBSSC-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.49
Rot. Bonds4

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

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate (PubChem CID 16869687) has the molecular formula C17H11ClFNO3 and a molecular weight of 331.73 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
PubChem CID16869687
Molecular FormulaC17H11ClFNO3
Molecular Weight331.73 g/mol
Exact Mass331.04
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
SMILESO=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFNO3/c18-13-5-1-12(2-6-13)17(21)22-10-15-9-16(23-20-15)11-3-7-14(19)8-4-11/h1-9H,10H2
InChIKeyUFOXARQIZFBSSC-UHFFFAOYSA-N
XLogP4.49
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
CID 16869694
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)acetate
CID 16869611
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 16869565
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869448
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
CID 16869450
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 20906265
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 5-nitrofuran-2-carboxylate
CID 16869649
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate (CID 16869687) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate is O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate?
The InChIKey is UFOXARQIZFBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3/c18-13-5-1-12(2-6-13)17(21)22-10-15-9-16(23-20-15)11-3-7-14(19)8-4-11/h1-9H,10H2.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate has a molecular weight of 331.73 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate is sourced from PubChem (CID 16869687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).