3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione

C11H11FN2O4S — CID 141156565

IUPAC3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
SMILESCOc1scc2c1CN(C1(F)CCC(=O)NC1=O)O2
InChIInChI=1S/C11H11FN2O4S/c1-17-9-6-4-14(18-7(6)5-19-9)11(12)3-2-8(15)13-10(11)16/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyFOCZJYUDVDNUHA-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.97
Rot. Bonds2

About 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione

3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione (PubChem CID 141156565) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
PubChem CID141156565
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
SMILESCOc1scc2c1CN(C1(F)CCC(=O)NC1=O)O2
InChIInChI=1S/C11H11FN2O4S/c1-17-9-6-4-14(18-7(6)5-19-9)11(12)3-2-8(15)13-10(11)16/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyFOCZJYUDVDNUHA-UHFFFAOYSA-N
XLogP0.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione (CID 141156565) is 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione is COc1scc2c1CN(C1(F)CCC(=O)NC1=O)O2.
What is the InChIKey of 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
The InChIKey is FOCZJYUDVDNUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c1-17-9-6-4-14(18-7(6)5-19-9)11(12)3-2-8(15)13-10(11)16/h5H,2-4H2,1H3,(H,13,15,16).
What are the key properties of 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione has a molecular weight of 286.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 141156565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).