3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one

C23H25ClN2O5 — CID 4992737

IUPAC3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(O)c(Cl)c1)N1CCC(N2CC(COc3ccccc3)OC2=O)CC1
InChIInChI=1S/C23H25ClN2O5/c24-20-12-16(6-7-21(20)27)13-22(28)25-10-8-17(9-11-25)26-14-19(31-23(26)29)15-30-18-4-2-1-3-5-18/h1-7,12,17,19,27H,8-11,13-15H2
InChIKeyBIWAYAVEQLMPAU-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.48
Rot. Bonds6

About 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one

3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 4992737) has the molecular formula C23H25ClN2O5 and a molecular weight of 444.92 g/mol. Its IUPAC name is 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
PubChem CID4992737
Molecular FormulaC23H25ClN2O5
Molecular Weight444.92 g/mol
Exact Mass444.15
IUPAC Name3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(O)c(Cl)c1)N1CCC(N2CC(COc3ccccc3)OC2=O)CC1
InChIInChI=1S/C23H25ClN2O5/c24-20-12-16(6-7-21(20)27)13-22(28)25-10-8-17(9-11-25)26-14-19(31-23(26)29)15-30-18-4-2-1-3-5-18/h1-7,12,17,19,27H,8-11,13-15H2
InChIKeyBIWAYAVEQLMPAU-UHFFFAOYSA-N
XLogP3.48
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one (CID 4992737) is 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one is O=C(Cc1ccc(O)c(Cl)c1)N1CCC(N2CC(COc3ccccc3)OC2=O)CC1.
What is the InChIKey of 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is BIWAYAVEQLMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5/c24-20-12-16(6-7-21(20)27)13-22(28)25-10-8-17(9-11-25)26-14-19(31-23(26)29)15-30-18-4-2-1-3-5-18/h1-7,12,17,19,27H,8-11,13-15H2.
What are the key properties of 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 444.92 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 4992737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).