1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

C11H7F2NO2S — CID 106923973

IUPAC1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7F2NO2S/c12-8-2-1-7(5-9(8)13)10(15)6-17-11-14-3-4-16-11/h1-5H,6H2
InChIKeyOOZQRIGJQBJBJC-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.93
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (PubChem CID 106923973) has the molecular formula C11H7F2NO2S and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
PubChem CID106923973
Molecular FormulaC11H7F2NO2S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7F2NO2S/c12-8-2-1-7(5-9(8)13)10(15)6-17-11-14-3-4-16-11/h1-5H,6H2
InChIKeyOOZQRIGJQBJBJC-UHFFFAOYSA-N
XLogP2.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (CID 106923973) is 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is O=C(CSc1ncco1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The InChIKey is OOZQRIGJQBJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-8-2-1-7(5-9(8)13)10(15)6-17-11-14-3-4-16-11/h1-5H,6H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone has a molecular weight of 255.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 106923973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).