4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole

C11H13NOS — CID 3041207

IUPAC4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C=Cc2cccs2)=N1
InChIInChI=1S/C11H13NOS/c1-11(2)8-13-10(12-11)6-5-9-4-3-7-14-9/h3-7H,8H2,1-2H3
InChIKeyOJQKLLLEJSUGLS-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.97
Rot. Bonds2

About 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole

4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole (PubChem CID 3041207) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole
PubChem CID3041207
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C=Cc2cccs2)=N1
InChIInChI=1S/C11H13NOS/c1-11(2)8-13-10(12-11)6-5-9-4-3-7-14-9/h3-7H,8H2,1-2H3
InChIKeyOJQKLLLEJSUGLS-UHFFFAOYSA-N
XLogP2.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole (CID 3041207) is 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole is CC1(C)COC(C=Cc2cccs2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole?
The InChIKey is OJQKLLLEJSUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-11(2)8-13-10(12-11)6-5-9-4-3-7-14-9/h3-7H,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole has a molecular weight of 207.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole is sourced from PubChem (CID 3041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).