(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate

C21H15ClN2O3S — CID 16601599

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H15ClN2O3S/c22-16-8-4-7-15(9-16)21-23-18(13-28-21)11-20(25)26-12-17-10-19(27-24-17)14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKeyLOGXCHLTFDXVAZ-UHFFFAOYSA-N
MW410.88 g/mol
LogP5.40
Rot. Bonds6

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

(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 16601599) has the molecular formula C21H15ClN2O3S and a molecular weight of 410.88 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID16601599
Molecular FormulaC21H15ClN2O3S
Molecular Weight410.88 g/mol
Exact Mass410.05
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H15ClN2O3S/c22-16-8-4-7-15(9-16)21-23-18(13-28-21)11-20(25)26-12-17-10-19(27-24-17)14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKeyLOGXCHLTFDXVAZ-UHFFFAOYSA-N
XLogP5.40
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18279947
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449171
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 8973569
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
ethyl 3-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560657
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 46416086
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-benzylsulfanylacetate
CID 16869606
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
(2S)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45492023
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 16869565

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 16601599) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is O=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is LOGXCHLTFDXVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3S/c22-16-8-4-7-15(9-16)21-23-18(13-28-21)11-20(25)26-12-17-10-19(27-24-17)14-5-2-1-3-6-14/h1-10,13H,11-12H2.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 410.88 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16601599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).