3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C23H25N3O3S — CID 24901587

About 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 24901587) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 24901587
• Molecular Formula: C23H25N3O3S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: O=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
• InChI: InChI=1S/C23H25N3O3S/c27-23-26(15-16-28-23)18-10-13-25(14-11-18)12-9-17-5-7-19(8-6-17)29-22-24-20-3-1-2-4-21(20)30-22/h1-8,18H,9-16H2
• InChIKey: RUPCCWFCAYKMFK-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 24901587) is 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1.

What is the InChIKey of 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is RUPCCWFCAYKMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23-26(15-16-28-23)18-10-13-25(14-11-18)12-9-17-5-7-19(8-6-17)29-22-24-20-3-1-2-4-21(20)30-22/h1-8,18H,9-16H2.

What are the key properties of 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 423.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24901587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).