ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate

C16H14N2O3S — CID 2745400

IUPACethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H14N2O3S/c1-3-20-16(19)13-10(2)18-21-14(13)12-9-22-15(17-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyJPIFYFIFAMYUIM-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.95
Rot. Bonds4

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

ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate (PubChem CID 2745400) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate
PubChem CID2745400
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Nameethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H14N2O3S/c1-3-20-16(19)13-10(2)18-21-14(13)12-9-22-15(17-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyJPIFYFIFAMYUIM-UHFFFAOYSA-N
XLogP3.95
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate (CID 2745400) is ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1-c1csc(-c2ccccc2)n1.
What is the InChIKey of ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is JPIFYFIFAMYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-3-20-16(19)13-10(2)18-21-14(13)12-9-22-15(17-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate?
ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2745400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).