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

C9H8N2O3S — CID 24976169

IUPACethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cscn2)no1
InChIInChI=1S/C9H8N2O3S/c1-2-13-9(12)8-3-6(11-14-8)7-4-15-5-10-7/h3-5H,2H2,1H3
InChIKeyIOYUTSPNZPDRKD-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.97
Rot. Bonds3

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

ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate (PubChem CID 24976169) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate
PubChem CID24976169
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Nameethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cscn2)no1
InChIInChI=1S/C9H8N2O3S/c1-2-13-9(12)8-3-6(11-14-8)7-4-15-5-10-7/h3-5H,2H2,1H3
InChIKeyIOYUTSPNZPDRKD-UHFFFAOYSA-N
XLogP1.97
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-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 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
CID 67353967
ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxylate
CID 139453528
ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 949375
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
ethyl 3-(3-methyl-4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 67352122
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331533
ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
CID 116646861
ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
CID 67354653
ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate
CID 5389034
ethyl 3-[3-isocyano-4-(trifluoromethylsulfonyloxy)phenyl]-1,2-oxazole-5-carboxylate
CID 59518212
ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate
CID 71415665

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate (CID 24976169) is ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(-c2cscn2)no1.
What is the InChIKey of ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate?
The InChIKey is IOYUTSPNZPDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-2-13-9(12)8-3-6(11-14-8)7-4-15-5-10-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate?
ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-thiazol-4-yl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 24976169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).