1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone

C12H10FNO3S — CID 106923991

IUPAC1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CSc2ncco2)c1O
InChIInChI=1S/C12H10FNO3S/c1-7(15)10-5-9(13)4-8(11(10)16)6-18-12-14-2-3-17-12/h2-5,16H,6H2,1H3
InChIKeyBCODTQBLJRXGNS-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.01
Rot. Bonds4

About 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone

1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone (PubChem CID 106923991) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone
PubChem CID106923991
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CSc2ncco2)c1O
InChIInChI=1S/C12H10FNO3S/c1-7(15)10-5-9(13)4-8(11(10)16)6-18-12-14-2-3-17-12/h2-5,16H,6H2,1H3
InChIKeyBCODTQBLJRXGNS-UHFFFAOYSA-N
XLogP3.01
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone (CID 106923991) is 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone is CC(=O)c1cc(F)cc(CSc2ncco2)c1O.
What is the InChIKey of 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone?
The InChIKey is BCODTQBLJRXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-7(15)10-5-9(13)4-8(11(10)16)6-18-12-14-2-3-17-12/h2-5,16H,6H2,1H3.
What are the key properties of 1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone?
1-[5-fluoro-2-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone has a molecular weight of 267.28 g/mol, XLogP of 3.01, 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-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]ethanone is sourced from PubChem (CID 106923991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).