[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone

C6H7N3O3S — CID 130522424

IUPAC[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1C[C@H](O)CO1
InChIInChI=1S/C6H7N3O3S/c10-4-2-9(12-3-4)6(11)5-1-7-13-8-5/h1,4,10H,2-3H2/t4-/m0/s1
InChIKeyBVMWETLUQHSHIG-BYPYZUCNSA-N
MW201.21 g/mol
LogP-0.71
Rot. Bonds1

About [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone

[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 130522424) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID130522424
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1C[C@H](O)CO1
InChIInChI=1S/C6H7N3O3S/c10-4-2-9(12-3-4)6(11)5-1-7-13-8-5/h1,4,10H,2-3H2/t4-/m0/s1
InChIKeyBVMWETLUQHSHIG-BYPYZUCNSA-N
XLogP-0.71
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 106671257
(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 130522251
[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-(1H-pyrazol-4-yl)methanone
CID 130522704
(4-hydroxy-1,2-oxazolidin-2-yl)-(1,3-thiazol-5-yl)methanone
CID 130522349
(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153426
[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 94200534
(4-hydroxy-1,2-oxazolidin-2-yl)-imidazo[1,2-a]pyridin-2-ylmethanone
CID 112736664
(2-benzyl-1,3-thiazol-4-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 96571878
(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 130522384
(3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 130522657
[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 97123080
(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63908832

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 130522424) is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1C[C@H](O)CO1.
What is the InChIKey of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is BVMWETLUQHSHIG-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7N3O3S/c10-4-2-9(12-3-4)6(11)5-1-7-13-8-5/h1,4,10H,2-3H2/t4-/m0/s1.
What are the key properties of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 201.21 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 130522424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).