1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol

C6H8FNO2S — CID 131219854

IUPAC1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CF)CSc1ncco1
InChIInChI=1S/C6H8FNO2S/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4H2
InChIKeyKTYBXXPNJOEFAT-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.10
Rot. Bonds4

About 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol

1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol (PubChem CID 131219854) has the molecular formula C6H8FNO2S and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
PubChem CID131219854
Molecular FormulaC6H8FNO2S
Molecular Weight177.20 g/mol
Exact Mass177.03
IUPAC Name1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CF)CSc1ncco1
InChIInChI=1S/C6H8FNO2S/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4H2
InChIKeyKTYBXXPNJOEFAT-UHFFFAOYSA-N
XLogP1.10
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol (CID 131219854) is 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol is OC(CF)CSc1ncco1.
What is the InChIKey of 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is KTYBXXPNJOEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2S/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4H2.
What are the key properties of 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 177.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 131219854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).