4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one

C15H15N3O3S — CID 97188640

IUPAC4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1Cc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C15H15N3O3S/c19-14-9-22-12-6-2-1-4-10(12)18(14)8-13-16-15(21-17-13)11-5-3-7-20-11/h1-2,4,6,11H,3,5,7-9H2/t11-/m1/s1
InChIKeyFUNSNSSVAKJMLR-LLVKDONJSA-N
MW317.37 g/mol
LogP2.56
Rot. Bonds3

About 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one

4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one (PubChem CID 97188640) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
PubChem CID97188640
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1Cc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C15H15N3O3S/c19-14-9-22-12-6-2-1-4-10(12)18(14)8-13-16-15(21-17-13)11-5-3-7-20-11/h1-2,4,6,11H,3,5,7-9H2/t11-/m1/s1
InChIKeyFUNSNSSVAKJMLR-LLVKDONJSA-N
XLogP2.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
The IUPAC name of 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one (CID 97188640) is 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one is O=C1CSc2ccccc2N1Cc1noc([C@H]2CCCO2)n1.
What is the InChIKey of 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
The InChIKey is FUNSNSSVAKJMLR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-14-9-22-12-6-2-1-4-10(12)18(14)8-13-16-15(21-17-13)11-5-3-7-20-11/h1-2,4,6,11H,3,5,7-9H2/t11-/m1/s1.
What are the key properties of 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one has a molecular weight of 317.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 97188640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).