(2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol

C24H25Cl2N5O3S — CID 10482236

About (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol

(2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol (PubChem CID 10482236) has the molecular formula C24H25Cl2N5O3S and a molecular weight of 534.47 g/mol. Its IUPAC name is (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
• PubChem CID: 10482236
• Molecular Formula: C24H25Cl2N5O3S
• Molecular Weight: 534.47 g/mol
• Exact Mass: 533.11
• IUPAC Name: (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
• SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(-c5ccc(Cl)cc5Cl)no4)CC3)ccc2s1
• InChI: InChI=1S/C24H25Cl2N5O3S/c1-15-27-21-11-18(3-5-22(21)35-15)33-14-17(32)12-30-6-8-31(9-7-30)13-23-28-24(29-34-23)19-4-2-16(25)10-20(19)26/h2-5,10-11,17,32H,6-9,12-14H2,1H3/t17-/m1/s1
• InChIKey: OSSJCLRFMVPXOU-QGZVFWFLSA-N
• XLogP: 4.52
• TPSA: 87.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.47
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

The IUPAC name of (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol (CID 10482236) is (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol.

What is the SMILES notation for (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

The canonical SMILES for (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol is Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(-c5ccc(Cl)cc5Cl)no4)CC3)ccc2s1.

What is the InChIKey of (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

The InChIKey is OSSJCLRFMVPXOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25Cl2N5O3S/c1-15-27-21-11-18(3-5-22(21)35-15)33-14-17(32)12-30-6-8-31(9-7-30)13-23-28-24(29-34-23)19-4-2-16(25)10-20(19)26/h2-5,10-11,17,32H,6-9,12-14H2,1H3/t17-/m1/s1.

What are the key properties of (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

(2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol has a molecular weight of 534.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol is sourced from PubChem (CID 10482236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).