3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one

C24H30N2O4 — CID 19420859

IUPAC3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(CCCN3CCC(Oc4ccccc4)CC3)OC2=O)cc1
InChIInChI=1S/C24H30N2O4/c1-28-20-11-9-19(10-12-20)26-18-23(30-24(26)27)8-5-15-25-16-13-22(14-17-25)29-21-6-3-2-4-7-21/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3
InChIKeySIVXRLMZOLZOQQ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.34
Rot. Bonds8

About 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one

3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one (PubChem CID 19420859) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one
PubChem CID19420859
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(CCCN3CCC(Oc4ccccc4)CC3)OC2=O)cc1
InChIInChI=1S/C24H30N2O4/c1-28-20-11-9-19(10-12-20)26-18-23(30-24(26)27)8-5-15-25-16-13-22(14-17-25)29-21-6-3-2-4-7-21/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3
InChIKeySIVXRLMZOLZOQQ-UHFFFAOYSA-N
XLogP4.34
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one (CID 19420859) is 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one is COc1ccc(N2CC(CCCN3CCC(Oc4ccccc4)CC3)OC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one?
The InChIKey is SIVXRLMZOLZOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-28-20-11-9-19(10-12-20)26-18-23(30-24(26)27)8-5-15-25-16-13-22(14-17-25)29-21-6-3-2-4-7-21/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one?
3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one has a molecular weight of 410.51 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19420859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).