1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone

C10H9NO2S — CID 130517607

IUPAC1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone
SMILESCc1nc(C(=O)Cc2cccs2)co1
InChIInChI=1S/C10H9NO2S/c1-7-11-9(6-13-7)10(12)5-8-3-2-4-14-8/h2-4,6H,5H2,1H3
InChIKeyCONFRDUUFKNNIT-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone

1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone (PubChem CID 130517607) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone
PubChem CID130517607
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone
SMILESCc1nc(C(=O)Cc2cccs2)co1
InChIInChI=1S/C10H9NO2S/c1-7-11-9(6-13-7)10(12)5-8-3-2-4-14-8/h2-4,6H,5H2,1H3
InChIKeyCONFRDUUFKNNIT-UHFFFAOYSA-N
XLogP2.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone (CID 130517607) is 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone is Cc1nc(C(=O)Cc2cccs2)co1.
What is the InChIKey of 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone?
The InChIKey is CONFRDUUFKNNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-7-11-9(6-13-7)10(12)5-8-3-2-4-14-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone?
1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone has a molecular weight of 207.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 130517607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).