(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one

C21H25N3O2 — CID 57473700

IUPAC(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(CN3C[C@@H](c4ccccc4)OC3=O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-22-11-13-23(14-12-22)19-9-7-17(8-10-19)15-24-16-20(26-21(24)25)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3/t20-/m0/s1
InChIKeyKXCOTTNMMDVBRZ-FQEVSTJZSA-N
MW351.45 g/mol
LogP3.13
Rot. Bonds4

About (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one

(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 57473700) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID57473700
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(CN3C[C@@H](c4ccccc4)OC3=O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-22-11-13-23(14-12-22)19-9-7-17(8-10-19)15-24-16-20(26-21(24)25)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3/t20-/m0/s1
InChIKeyKXCOTTNMMDVBRZ-FQEVSTJZSA-N
XLogP3.13
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 24964503
3-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 70312883
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 91202663
(3Z,5S)-3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethylidene]-5-phenyloxolan-2-one
CID 143501472
5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 69003781
3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 24967350
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
5-[(E)-but-2-en-2-yl]-3-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 143501455
methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 57487855

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one (CID 57473700) is (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one is CN1CCN(c2ccc(CN3C[C@@H](c4ccccc4)OC3=O)cc2)CC1.
What is the InChIKey of (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KXCOTTNMMDVBRZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-22-11-13-23(14-12-22)19-9-7-17(8-10-19)15-24-16-20(26-21(24)25)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3/t20-/m0/s1.
What are the key properties of (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57473700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).