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

C23H25N3O3S — CID 24901587

IUPAC3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=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
InChIKeyRUPCCWFCAYKMFK-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.55
Rot. Bonds6

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 Name3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID24901587
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=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
InChIKeyRUPCCWFCAYKMFK-UHFFFAOYSA-N
XLogP4.55
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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).