2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone

C9H9NO2S — CID 116826252

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone
SMILESO=C(CC1=NCCO1)c1cccs1
InChIInChI=1S/C9H9NO2S/c11-7(8-2-1-5-13-8)6-9-10-3-4-12-9/h1-2,5H,3-4,6H2
InChIKeyVUOYUIHMFOWMRV-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.75
Rot. Bonds3

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone (PubChem CID 116826252) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone
PubChem CID116826252
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone
SMILESO=C(CC1=NCCO1)c1cccs1
InChIInChI=1S/C9H9NO2S/c11-7(8-2-1-5-13-8)6-9-10-3-4-12-9/h1-2,5H,3-4,6H2
InChIKeyVUOYUIHMFOWMRV-UHFFFAOYSA-N
XLogP1.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-pyridazin-3-yl-1-thiophen-2-ylethanone
CID 116832889
1-thiophen-2-ylpropan-1-one
CID 26179
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
CID 160839324
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone
CID 126534748
2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
CID 58171199
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone (CID 116826252) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone is O=C(CC1=NCCO1)c1cccs1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone?
The InChIKey is VUOYUIHMFOWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-7(8-2-1-5-13-8)6-9-10-3-4-12-9/h1-2,5H,3-4,6H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone?
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone has a molecular weight of 195.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 116826252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).