1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone

C21H18N4O3S — CID 70801253

IUPAC1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone
SMILESO=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)N1CC(O)C1
InChIInChI=1S/C21H18N4O3S/c26-15-11-25(12-15)21(27)10-19-24-23-18(28-19)9-20-22-16-7-6-14(8-17(16)29-20)13-4-2-1-3-5-13/h1-8,15,26H,9-12H2
InChIKeyUXRKNEYUOTUZCU-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone

1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone (PubChem CID 70801253) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone
PubChem CID70801253
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone
SMILESO=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)N1CC(O)C1
InChIInChI=1S/C21H18N4O3S/c26-15-11-25(12-15)21(27)10-19-24-23-18(28-19)9-20-22-16-7-6-14(8-17(16)29-20)13-4-2-1-3-5-13/h1-8,15,26H,9-12H2
InChIKeyUXRKNEYUOTUZCU-UHFFFAOYSA-N
XLogP2.68
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone 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 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone (CID 70801253) is 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone is O=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone?
The InChIKey is UXRKNEYUOTUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c26-15-11-25(12-15)21(27)10-19-24-23-18(28-19)9-20-22-16-7-6-14(8-17(16)29-20)13-4-2-1-3-5-13/h1-8,15,26H,9-12H2.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone?
1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone has a molecular weight of 406.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]ethanone is sourced from PubChem (CID 70801253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).