(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C15H16FN3O5S — CID 129337421

IUPAC(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@@H](c2nnc([C@H]3Cc4cccc(F)c4O3)o2)C1
InChIInChI=1S/C15H16FN3O5S/c1-25(20,21)19-5-6-22-12(8-19)15-18-17-14(24-15)11-7-9-3-2-4-10(16)13(9)23-11/h2-4,11-12H,5-8H2,1H3/t11-,12-/m1/s1
InChIKeyLRQJVEYVFVHXDU-VXGBXAGGSA-N
MW369.37 g/mol
LogP1.22
Rot. Bonds3

About (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129337421) has the molecular formula C15H16FN3O5S and a molecular weight of 369.37 g/mol. Its IUPAC name is (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129337421
Molecular FormulaC15H16FN3O5S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@@H](c2nnc([C@H]3Cc4cccc(F)c4O3)o2)C1
InChIInChI=1S/C15H16FN3O5S/c1-25(20,21)19-5-6-22-12(8-19)15-18-17-14(24-15)11-7-9-3-2-4-10(16)13(9)23-11/h2-4,11-12H,5-8H2,1H3/t11-,12-/m1/s1
InChIKeyLRQJVEYVFVHXDU-VXGBXAGGSA-N
XLogP1.22
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine 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 (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129337421) is (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCO[C@@H](c2nnc([C@H]3Cc4cccc(F)c4O3)o2)C1.
What is the InChIKey of (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is LRQJVEYVFVHXDU-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H16FN3O5S/c1-25(20,21)19-5-6-22-12(8-19)15-18-17-14(24-15)11-7-9-3-2-4-10(16)13(9)23-11/h2-4,11-12H,5-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 369.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129337421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).