3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C11H13N3O2S — CID 842850

IUPAC3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-8-9(7(3)16-14-8)10(15)13-11-12-5-6(2)17-11/h5H,4H2,1-3H3,(H,12,13,15)
InChIKeyITENTARUJOUWBO-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.56
Rot. Bonds3

About 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 842850) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID842850
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-8-9(7(3)16-14-8)10(15)13-11-12-5-6(2)17-11/h5H,4H2,1-3H3,(H,12,13,15)
InChIKeyITENTARUJOUWBO-UHFFFAOYSA-N
XLogP2.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide 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 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 842850) is 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ncc(C)s1.
What is the InChIKey of 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is ITENTARUJOUWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-8-9(7(3)16-14-8)10(15)13-11-12-5-6(2)17-11/h5H,4H2,1-3H3,(H,12,13,15).
What are the key properties of 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 842850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).