ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate

C16H13ClN2O3S — CID 2744680

IUPACethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1-c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2O3S/c1-3-21-16(20)14-13(9(2)22-19-14)12-8-23-15(18-12)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyJVTGEOJRHWRJGL-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.60
Rot. Bonds4

About ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate

ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 2744680) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
PubChem CID2744680
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Nameethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1-c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2O3S/c1-3-21-16(20)14-13(9(2)22-19-14)12-8-23-15(18-12)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyJVTGEOJRHWRJGL-UHFFFAOYSA-N
XLogP4.60
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 5-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}isoxazole-3-carboxylate
CID 2745325
3-(2,4-Dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 2745631
Ethyl 4-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
CID 2745621
Ethyl 5-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]isoxazole-3-carboxylate
CID 2745306
Ethyl 5-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 2744699
4-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 2745593
Ethyl 4-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
CID 2744691
Ethyl 4-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
CID 2744698
Ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 2744703
Ethyl 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 2745305
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
CID 2745331
Ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate
CID 2745400

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate (CID 2744680) is ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C)c1-c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is JVTGEOJRHWRJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-3-21-16(20)14-13(9(2)22-19-14)12-8-23-15(18-12)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate?
ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 348.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2744680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).