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

C22H23N3O3S — CID 11315811

IUPAC3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C22H23N3O3S/c26-22-25(13-14-27-22)17-9-11-24(12-10-17)15-16-5-7-18(8-6-16)28-21-23-19-3-1-2-4-20(19)29-21/h1-8,17H,9-15H2
InChIKeyMOWJCGXXGLULBX-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.51
Rot. Bonds5

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

3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 11315811) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID11315811
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C22H23N3O3S/c26-22-25(13-14-27-22)17-9-11-24(12-10-17)15-16-5-7-18(8-6-16)28-21-23-19-3-1-2-4-20(19)29-21/h1-8,17H,9-15H2
InChIKeyMOWJCGXXGLULBX-UHFFFAOYSA-N
XLogP4.51
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 11315811) is 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MOWJCGXXGLULBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22-25(13-14-27-22)17-9-11-24(12-10-17)15-16-5-7-18(8-6-16)28-21-23-19-3-1-2-4-20(19)29-21/h1-8,17H,9-15H2.
What are the key properties of 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 409.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11315811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).