5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C22H26N2O5S — CID 3751432

IUPAC5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)Cc4cccs4)CC3)C(=O)O2)cc1
InChIInChI=1S/C22H26N2O5S/c1-27-17-4-6-18(7-5-17)28-15-19-14-24(22(26)29-19)16-8-10-23(11-9-16)21(25)13-20-3-2-12-30-20/h2-7,12,16,19H,8-11,13-15H2,1H3
InChIKeyMINKEQNODKSWIN-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.19
Rot. Bonds7

About 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3751432) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3751432
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)Cc4cccs4)CC3)C(=O)O2)cc1
InChIInChI=1S/C22H26N2O5S/c1-27-17-4-6-18(7-5-17)28-15-19-14-24(22(26)29-19)16-8-10-23(11-9-16)21(25)13-20-3-2-12-30-20/h2-7,12,16,19H,8-11,13-15H2,1H3
InChIKeyMINKEQNODKSWIN-UHFFFAOYSA-N
XLogP3.19
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3751432) is 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc(OCC2CN(C3CCN(C(=O)Cc4cccs4)CC3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MINKEQNODKSWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-27-17-4-6-18(7-5-17)28-15-19-14-24(22(26)29-19)16-8-10-23(11-9-16)21(25)13-20-3-2-12-30-20/h2-7,12,16,19H,8-11,13-15H2,1H3.
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 430.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3751432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).