(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

C18H11ClN2O3S2 — CID 8973569

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H11ClN2O3S2/c19-12-4-1-3-11(7-12)17-20-14(10-26-17)18(22)23-9-13-8-15(24-21-13)16-5-2-6-25-16/h1-8,10H,9H2
InChIKeyUERCZNKSXIWDMJ-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.54
Rot. Bonds5

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8973569) has the molecular formula C18H11ClN2O3S2 and a molecular weight of 402.88 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8973569
Molecular FormulaC18H11ClN2O3S2
Molecular Weight402.88 g/mol
Exact Mass401.99
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H11ClN2O3S2/c19-12-4-1-3-11(7-12)17-20-14(10-26-17)18(22)23-9-13-8-15(24-21-13)16-5-2-6-25-16/h1-8,10H,9H2
InChIKeyUERCZNKSXIWDMJ-UHFFFAOYSA-N
XLogP5.54
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 55570096
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16601599
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18279947
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789234
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
CID 16870177
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994
(4-methoxyphenyl) 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 134052740
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3,4-dichlorophenyl)acetate
CID 8649683
(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 86913932

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (CID 8973569) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is O=C(OCc1cc(-c2cccs2)on1)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is UERCZNKSXIWDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3S2/c19-12-4-1-3-11(7-12)17-20-14(10-26-17)18(22)23-9-13-8-15(24-21-13)16-5-2-6-25-16/h1-8,10H,9H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 402.88 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8973569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).