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

C10H9FN2O4S — CID 141156648

IUPAC(3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
SMILESO=C1CC[C@@](F)(N2Cc3c(csc3O)O2)C(=O)N1
InChIInChI=1S/C10H9FN2O4S/c11-10(2-1-7(14)12-9(10)16)13-3-5-6(17-13)4-18-8(5)15/h4,15H,1-3H2,(H,12,14,16)/t10-/m1/s1
InChIKeyUDTDCALXKDIUAP-SNVBAGLBSA-N
MW272.26 g/mol
LogP0.67
Rot. Bonds1

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

(3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione (PubChem CID 141156648) has the molecular formula C10H9FN2O4S and a molecular weight of 272.26 g/mol. Its IUPAC name is (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
PubChem CID141156648
Molecular FormulaC10H9FN2O4S
Molecular Weight272.26 g/mol
Exact Mass272.03
IUPAC Name(3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
SMILESO=C1CC[C@@](F)(N2Cc3c(csc3O)O2)C(=O)N1
InChIInChI=1S/C10H9FN2O4S/c11-10(2-1-7(14)12-9(10)16)13-3-5-6(17-13)4-18-8(5)15/h4,15H,1-3H2,(H,12,14,16)/t10-/m1/s1
InChIKeyUDTDCALXKDIUAP-SNVBAGLBSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione
CID 141156542
3-fluoro-3-(4-methoxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
CID 141156565
3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione
CID 141156645
3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
CID 164919999
(3S)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-1-(hydroxymethyl)-3-methylpiperidine-2,6-dione
CID 141156594
(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione
CID 66751776
3-[(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-2,5-dioxopyrrolidin-1-yl]-3-fluoropiperidine-2,6-dione;ethane
CID 163290592
3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane
CID 145070038
8,9-dioxa-3-azatricyclo[5.1.1.01,7]nonane-2,4-dione
CID 87481764
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 130324362
3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione
CID 16639181

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione (CID 141156648) is (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione is O=C1CC[C@@](F)(N2Cc3c(csc3O)O2)C(=O)N1.
What is the InChIKey of (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
The InChIKey is UDTDCALXKDIUAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9FN2O4S/c11-10(2-1-7(14)12-9(10)16)13-3-5-6(17-13)4-18-8(5)15/h4,15H,1-3H2,(H,12,14,16)/t10-/m1/s1.
What are the key properties of (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione?
(3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione has a molecular weight of 272.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 141156648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).