1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

C11H8FNO3S — CID 106923961

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1cc(F)ccc1O
InChIInChI=1S/C11H8FNO3S/c12-7-1-2-9(14)8(5-7)10(15)6-17-11-13-3-4-16-11/h1-5,14H,6H2
InChIKeyIRJRRUVMFXPQGM-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.49
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (PubChem CID 106923961) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
PubChem CID106923961
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1cc(F)ccc1O
InChIInChI=1S/C11H8FNO3S/c12-7-1-2-9(14)8(5-7)10(15)6-17-11-13-3-4-16-11/h1-5,14H,6H2
InChIKeyIRJRRUVMFXPQGM-UHFFFAOYSA-N
XLogP2.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106920761
3,5-Difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921063
3-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921109
1-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923916
1-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923923
1-(3-Fluoro-4-methoxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923949
1-(2-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923983
1-[5-Fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone
CID 106923991
1-(4-Fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propan-1-one
CID 106923992
1-(4-Fluorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butan-1-one
CID 106923993
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106926042
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106926050

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (CID 106923961) is 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is O=C(CSc1ncco1)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The InChIKey is IRJRRUVMFXPQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c12-7-1-2-9(14)8(5-7)10(15)6-17-11-13-3-4-16-11/h1-5,14H,6H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone has a molecular weight of 253.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 106923961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).