5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one

C19H20ClN3O2 — CID 90656173

IUPAC5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H20ClN3O2/c20-17-4-2-1-3-16(17)18-13-23(19(24)25-18)15-7-5-14(6-8-15)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
InChIKeyVLRIACDYQXMUBQ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.45
Rot. Bonds3

About 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one

5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 90656173) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID90656173
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H20ClN3O2/c20-17-4-2-1-3-16(17)18-13-23(19(24)25-18)15-7-5-14(6-8-15)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
InChIKeyVLRIACDYQXMUBQ-UHFFFAOYSA-N
XLogP3.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(benzyloxy)piperidino]butyl-N-(4-chlorophenyl)carbamate
CID 10223679
[3-[4-(3-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281064
[3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281893
1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240143
1-(3-Chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one
CID 45273529
5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
CID 90656168
5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
CID 90656170
5-(2-Chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one
CID 90656171
5-(2-Chlorophenyl)-3-(3-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 90656172
5-(2-Chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-oxazolidin-2-one
CID 90656174
5-(2-Chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one
CID 90656175
3-(3-Chlorophenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 137657222

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one (CID 90656173) is 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2Cl)CN1c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is VLRIACDYQXMUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-17-4-2-1-3-16(17)18-13-23(19(24)25-18)15-7-5-14(6-8-15)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2.
What are the key properties of 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 357.84 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90656173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).