5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

C22H24BrClN2O2 — CID 23029152

IUPAC5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1c1ccccc1
InChIInChI=1S/C22H24BrClN2O2/c23-21-7-6-18(24)13-17(21)12-16-8-10-25(11-9-16)14-20-15-26(22(27)28-20)19-4-2-1-3-5-19/h1-7,13,16,20H,8-12,14-15H2
InChIKeyKCKCDWMJJNRTLI-UHFFFAOYSA-N
MW463.80 g/mol
LogP5.38
Rot. Bonds5

About 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 23029152) has the molecular formula C22H24BrClN2O2 and a molecular weight of 463.80 g/mol. Its IUPAC name is 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID23029152
Molecular FormulaC22H24BrClN2O2
Molecular Weight463.80 g/mol
Exact Mass462.07
IUPAC Name5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1c1ccccc1
InChIInChI=1S/C22H24BrClN2O2/c23-21-7-6-18(24)13-17(21)12-16-8-10-25(11-9-16)14-20-15-26(22(27)28-20)19-4-2-1-3-5-19/h1-7,13,16,20H,8-12,14-15H2
InChIKeyKCKCDWMJJNRTLI-UHFFFAOYSA-N
XLogP5.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 23029152) is 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1c1ccccc1.
What is the InChIKey of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KCKCDWMJJNRTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrClN2O2/c23-21-7-6-18(24)13-17(21)12-16-8-10-25(11-9-16)14-20-15-26(22(27)28-20)19-4-2-1-3-5-19/h1-7,13,16,20H,8-12,14-15H2.
What are the key properties of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 463.80 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23029152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).