3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C28H30ClN3O3 — CID 59515456

IUPAC3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(-c2ccc(CN3C[C@@H](c4ccc(Cl)cc4)OC3=O)cc2)c1
InChIInChI=1S/C28H30ClN3O3/c1-30(2)15-16-31(3)27(33)24-6-4-5-23(17-24)21-9-7-20(8-10-21)18-32-19-26(35-28(32)34)22-11-13-25(29)14-12-22/h4-14,17,26H,15-16,18-19H2,1-3H3/t26-/m0/s1
InChIKeyJDEUNDGHYMDEFB-SANMLTNESA-N
MW492.02 g/mol
LogP5.33
Rot. Bonds8

About 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 59515456) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID59515456
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC Name3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(-c2ccc(CN3C[C@@H](c4ccc(Cl)cc4)OC3=O)cc2)c1
InChIInChI=1S/C28H30ClN3O3/c1-30(2)15-16-31(3)27(33)24-6-4-5-23(17-24)21-9-7-20(8-10-21)18-32-19-26(35-28(32)34)22-11-13-25(29)14-12-22/h4-14,17,26H,15-16,18-19H2,1-3H3/t26-/m0/s1
InChIKeyJDEUNDGHYMDEFB-SANMLTNESA-N
XLogP5.33
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 59515456) is 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cccc(-c2ccc(CN3C[C@@H](c4ccc(Cl)cc4)OC3=O)cc2)c1.
What is the InChIKey of 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is JDEUNDGHYMDEFB-SANMLTNESA-N. The full InChI is InChI=1S/C28H30ClN3O3/c1-30(2)15-16-31(3)27(33)24-6-4-5-23(17-24)21-9-7-20(8-10-21)18-32-19-26(35-28(32)34)22-11-13-25(29)14-12-22/h4-14,17,26H,15-16,18-19H2,1-3H3/t26-/m0/s1.
What are the key properties of 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 492.02 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(5R)-5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 59515456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).