4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C19H23N3O2S — CID 3766970

IUPAC4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C19H23N3O2S/c23-19-22(17(14-24-19)12-15-4-2-1-3-5-15)16-6-9-21(10-7-16)13-18-20-8-11-25-18/h1-5,8,11,16-17H,6-7,9-10,12-14H2
InChIKeyYFOYSWHKXMJSAP-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.17
Rot. Bonds5

About 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3766970) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3766970
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C19H23N3O2S/c23-19-22(17(14-24-19)12-15-4-2-1-3-5-15)16-6-9-21(10-7-16)13-18-20-8-11-25-18/h1-5,8,11,16-17H,6-7,9-10,12-14H2
InChIKeyYFOYSWHKXMJSAP-UHFFFAOYSA-N
XLogP3.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3766970) is 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCC(Cc2ccccc2)N1C1CCN(Cc2nccs2)CC1.
What is the InChIKey of 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is YFOYSWHKXMJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-19-22(17(14-24-19)12-15-4-2-1-3-5-15)16-6-9-21(10-7-16)13-18-20-8-11-25-18/h1-5,8,11,16-17H,6-7,9-10,12-14H2.
What are the key properties of 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 357.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3766970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).