3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C17H25N3O3 — CID 95602063

IUPAC3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c21-16(15-4-2-1-3-5-15)14-19-8-6-18(7-9-19)10-11-20-12-13-23-17(20)22/h1-5,16,21H,6-14H2/t16-/m0/s1
InChIKeyZDXQANUNAHDDPW-INIZCTEOSA-N
MW319.40 g/mol
LogP0.79
Rot. Bonds6

About 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 95602063) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID95602063
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c21-16(15-4-2-1-3-5-15)14-19-8-6-18(7-9-19)10-11-20-12-13-23-17(20)22/h1-5,16,21H,6-14H2/t16-/m0/s1
InChIKeyZDXQANUNAHDDPW-INIZCTEOSA-N
XLogP0.79
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 56811485
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
3-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 134018850
N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide
CID 36615288
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982698

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 95602063) is 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZDXQANUNAHDDPW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(15-4-2-1-3-5-15)14-19-8-6-18(7-9-19)10-11-20-12-13-23-17(20)22/h1-5,16,21H,6-14H2/t16-/m0/s1.
What are the key properties of 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 319.40 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95602063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).