N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide

C11H12N2O3S — CID 24859868

IUPACN-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCONC(=O)c1cc(-c2sccc2C)no1
InChIInChI=1S/C11H12N2O3S/c1-3-15-13-11(14)9-6-8(12-16-9)10-7(2)4-5-17-10/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyREOXEYIVJVZZCP-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.39
Rot. Bonds4

About N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide

N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 24859868) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID24859868
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCONC(=O)c1cc(-c2sccc2C)no1
InChIInChI=1S/C11H12N2O3S/c1-3-15-13-11(14)9-6-8(12-16-9)10-7(2)4-5-17-10/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyREOXEYIVJVZZCP-UHFFFAOYSA-N
XLogP2.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide (CID 24859868) is N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide is CCONC(=O)c1cc(-c2sccc2C)no1.
What is the InChIKey of N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is REOXEYIVJVZZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-15-13-11(14)9-6-8(12-16-9)10-7(2)4-5-17-10/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide?
N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 24859868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).