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

C11H12N2O3S — CID 66009506

IUPACethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)s2)oc1N
InChIInChI=1S/C11H12N2O3S/c1-3-15-11(14)8-9(12)16-10(13-8)7-5-4-6(2)17-7/h4-5H,3,12H2,1-2H3
InChIKeyVHXBFFVUKJCBFQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.47
Rot. Bonds3

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

ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate (PubChem CID 66009506) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
PubChem CID66009506
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Nameethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)s2)oc1N
InChIInChI=1S/C11H12N2O3S/c1-3-15-11(14)8-9(12)16-10(13-8)7-5-4-6(2)17-7/h4-5H,3,12H2,1-2H3
InChIKeyVHXBFFVUKJCBFQ-UHFFFAOYSA-N
XLogP2.47
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-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 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate (CID 66009506) is ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C)s2)oc1N.
What is the InChIKey of ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is VHXBFFVUKJCBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-15-11(14)8-9(12)16-10(13-8)7-5-4-6(2)17-7/h4-5H,3,12H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66009506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).