5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide

C20H19Cl2N3O2 — CID 39866064

IUPAC5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-25(2)18(13-3-7-15(21)8-4-13)12-23-20(26)17-11-19(27-24-17)14-5-9-16(22)10-6-14/h3-11,18H,12H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyHPFLQKGTVZVWQX-SFHVURJKSA-N
MW404.30 g/mol
LogP4.68
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 39866064) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID39866064
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-25(2)18(13-3-7-15(21)8-4-13)12-23-20(26)17-11-19(27-24-17)14-5-9-16(22)10-6-14/h3-11,18H,12H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyHPFLQKGTVZVWQX-SFHVURJKSA-N
XLogP4.68
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866174
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
5-(4-chlorophenyl)-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26834979
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 146052666
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843478
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866714
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide (CID 39866064) is 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide is CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HPFLQKGTVZVWQX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-25(2)18(13-3-7-15(21)8-4-13)12-23-20(26)17-11-19(27-24-17)14-5-9-16(22)10-6-14/h3-11,18H,12H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39866064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).