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

C17H11Cl2NO3 — CID 16869565

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccc(Cl)c1
InChIInChI=1S/C17H11Cl2NO3/c18-13-6-4-11(5-7-13)16-9-15(20-23-16)10-22-17(21)12-2-1-3-14(19)8-12/h1-9H,10H2
InChIKeyXQENJQDUUNGHGY-UHFFFAOYSA-N
MW348.19 g/mol
LogP5.01
Rot. Bonds4

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

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate (PubChem CID 16869565) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
PubChem CID16869565
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccc(Cl)c1
InChIInChI=1S/C17H11Cl2NO3/c18-13-6-4-11(5-7-13)16-9-15(20-23-16)10-22-17(21)12-2-1-3-14(19)8-12/h1-9H,10H2
InChIKeyXQENJQDUUNGHGY-UHFFFAOYSA-N
XLogP5.01
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
CID 16869450
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869448
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-chlorobenzoate
CID 7860043
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
CID 16869694
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-benzylsulfanylacetate
CID 16869606
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 5-nitrofuran-2-carboxylate
CID 16869649

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate (CID 16869565) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate is O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccc(Cl)c1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate?
The InChIKey is XQENJQDUUNGHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c18-13-6-4-11(5-7-13)16-9-15(20-23-16)10-22-17(21)12-2-1-3-14(19)8-12/h1-9H,10H2.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate has a molecular weight of 348.19 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate is sourced from PubChem (CID 16869565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).