1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one

C11H11NO2S — CID 115084772

IUPAC1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(Cc2cccs2)n1
InChIInChI=1S/C11H11NO2S/c1-8(13)5-9-7-14-11(12-9)6-10-3-2-4-15-10/h2-4,7H,5-6H2,1H3
InChIKeyRCUGEVWJFFHJGF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.46
Rot. Bonds4

About 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one

1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one (PubChem CID 115084772) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
PubChem CID115084772
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(Cc2cccs2)n1
InChIInChI=1S/C11H11NO2S/c1-8(13)5-9-7-14-11(12-9)6-10-3-2-4-15-10/h2-4,7H,5-6H2,1H3
InChIKeyRCUGEVWJFFHJGF-UHFFFAOYSA-N
XLogP2.46
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one (CID 115084772) is 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one is CC(=O)Cc1coc(Cc2cccs2)n1.
What is the InChIKey of 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
The InChIKey is RCUGEVWJFFHJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8(13)5-9-7-14-11(12-9)6-10-3-2-4-15-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one is sourced from PubChem (CID 115084772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).