4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one

C9H17FN2O2S — CID 57127431

IUPAC4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one
SMILESCCN(CC)CCSC1COC(=O)N1F
InChIInChI=1S/C9H17FN2O2S/c1-3-11(4-2)5-6-15-8-7-14-9(13)12(8)10/h8H,3-7H2,1-2H3
InChIKeyTVXUITQSQRXRRB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.72
Rot. Bonds6

About 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one

4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one (PubChem CID 57127431) has the molecular formula C9H17FN2O2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one
PubChem CID57127431
Molecular FormulaC9H17FN2O2S
Molecular Weight236.31 g/mol
Exact Mass236.10
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one
SMILESCCN(CC)CCSC1COC(=O)N1F
InChIInChI=1S/C9H17FN2O2S/c1-3-11(4-2)5-6-15-8-7-14-9(13)12(8)10/h8H,3-7H2,1-2H3
InChIKeyTVXUITQSQRXRRB-UHFFFAOYSA-N
XLogP1.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one (CID 57127431) is 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one is CCN(CC)CCSC1COC(=O)N1F.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one?
The InChIKey is TVXUITQSQRXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2S/c1-3-11(4-2)5-6-15-8-7-14-9(13)12(8)10/h8H,3-7H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one?
4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one is sourced from PubChem (CID 57127431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).