2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide

C12H14N2O2S — CID 110684821

IUPAC2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2cccs2)o1
InChIInChI=1S/C12H14N2O2S/c1-8-11(16-9(2)14-8)12(15)13-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyIVCLQSXSJGHLNK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.33
Rot. Bonds4

About 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide (PubChem CID 110684821) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
PubChem CID110684821
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2cccs2)o1
InChIInChI=1S/C12H14N2O2S/c1-8-11(16-9(2)14-8)12(15)13-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyIVCLQSXSJGHLNK-UHFFFAOYSA-N
XLogP2.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 20959640
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
CID 20971834
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
4-hydrazinyl-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81256558
4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110689356

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide (CID 110684821) is 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCc2cccs2)o1.
What is the InChIKey of 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is IVCLQSXSJGHLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8-11(16-9(2)14-8)12(15)13-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).