1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone

C16H13NO2S — CID 899925

IUPAC1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ncc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C16H13NO2S/c1-10-3-5-12(6-4-10)13-9-17-16(19-13)15-8-7-14(20-15)11(2)18/h3-9H,1-2H3
InChIKeyYBBFMWPETRHQSX-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.58
Rot. Bonds3

About 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone

1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone (PubChem CID 899925) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone
PubChem CID899925
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ncc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C16H13NO2S/c1-10-3-5-12(6-4-10)13-9-17-16(19-13)15-8-7-14(20-15)11(2)18/h3-9H,1-2H3
InChIKeyYBBFMWPETRHQSX-UHFFFAOYSA-N
XLogP4.58
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone (CID 899925) is 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ncc(-c3ccc(C)cc3)o2)s1.
What is the InChIKey of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone?
The InChIKey is YBBFMWPETRHQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-10-3-5-12(6-4-10)13-9-17-16(19-13)15-8-7-14(20-15)11(2)18/h3-9H,1-2H3.
What are the key properties of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone?
1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone has a molecular weight of 283.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(4-methylphenyl)-1,3-oxazol-2-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 899925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).