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

C11H12N2O2S — CID 715561

IUPAC3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cccs1
InChIInChI=1S/C11H12N2O2S/c1-7-10(8(2)15-13-7)11(14)12-6-9-4-3-5-16-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyKUEBNGLBQPKJQK-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.28
Rot. Bonds3

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

3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 715561) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID715561
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cccs1
InChIInChI=1S/C11H12N2O2S/c1-7-10(8(2)15-13-7)11(14)12-6-9-4-3-5-16-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyKUEBNGLBQPKJQK-UHFFFAOYSA-N
XLogP2.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 715561) is 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1cccs1.
What is the InChIKey of 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is KUEBNGLBQPKJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-10(8(2)15-13-7)11(14)12-6-9-4-3-5-16-9/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 715561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).