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

C19H13ClN2O3S2 — CID 18279947

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1coc(-c2cccs2)n1
InChIInChI=1S/C19H13ClN2O3S2/c20-13-4-1-3-12(7-13)19-22-14(11-27-19)8-17(23)24-9-15-10-25-18(21-15)16-5-2-6-26-16/h1-7,10-11H,8-9H2
InChIKeyMNCWXJRMQBHOMZ-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.47
Rot. Bonds6

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

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 18279947) has the molecular formula C19H13ClN2O3S2 and a molecular weight of 416.91 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID18279947
Molecular FormulaC19H13ClN2O3S2
Molecular Weight416.91 g/mol
Exact Mass416.01
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1coc(-c2cccs2)n1
InChIInChI=1S/C19H13ClN2O3S2/c20-13-4-1-3-12(7-13)19-22-14(11-27-19)8-17(23)24-9-15-10-25-18(21-15)16-5-2-6-26-16/h1-7,10-11H,8-9H2
InChIKeyMNCWXJRMQBHOMZ-UHFFFAOYSA-N
XLogP5.47
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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-naphthalen-1-ylacetate
CID 7782747
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 8973569
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883130
ethyl 3-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560657
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-amino-5-iodobenzoate
CID 18169724
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7880645

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 18279947) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is O=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1coc(-c2cccs2)n1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is MNCWXJRMQBHOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S2/c20-13-4-1-3-12(7-13)19-22-14(11-27-19)8-17(23)24-9-15-10-25-18(21-15)16-5-2-6-26-16/h1-7,10-11H,8-9H2.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 416.91 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 18279947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).