5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one

C23H27ClN2O3 — CID 67940450

IUPAC5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CCN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)c1
InChIInChI=1S/C23H27ClN2O3/c1-17-3-2-4-20(15-17)26-16-21(29-22(26)27)9-12-25-13-10-23(28,11-14-25)18-5-7-19(24)8-6-18/h2-8,15,21,28H,9-14,16H2,1H3
InChIKeyUXEKQVFEPGUMHE-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.35
Rot. Bonds5

About 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one

5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 67940450) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID67940450
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CCN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)c1
InChIInChI=1S/C23H27ClN2O3/c1-17-3-2-4-20(15-17)26-16-21(29-22(26)27)9-12-25-13-10-23(28,11-14-25)18-5-7-19(24)8-6-18/h2-8,15,21,28H,9-14,16H2,1H3
InChIKeyUXEKQVFEPGUMHE-UHFFFAOYSA-N
XLogP4.35
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 67940450) is 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc(N2CC(CCN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)c1.
What is the InChIKey of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UXEKQVFEPGUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-17-3-2-4-20(15-17)26-16-21(29-22(26)27)9-12-25-13-10-23(28,11-14-25)18-5-7-19(24)8-6-18/h2-8,15,21,28H,9-14,16H2,1H3.
What are the key properties of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 414.93 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67940450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).