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

C21H22ClN3O3 — CID 43843478

IUPAC5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)N(C)C
InChIInChI=1S/C21H22ClN3O3/c1-25(2)18(16-6-4-5-7-19(16)27-3)13-23-21(26)17-12-20(28-24-17)14-8-10-15(22)11-9-14/h4-12,18H,13H2,1-3H3,(H,23,26)
InChIKeyGLSCMCFYVXHRFO-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.04
Rot. Bonds7

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

5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 43843478) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID43843478
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)N(C)C
InChIInChI=1S/C21H22ClN3O3/c1-25(2)18(16-6-4-5-7-19(16)27-3)13-23-21(26)17-12-20(28-24-17)14-8-10-15(22)11-9-14/h4-12,18H,13H2,1-3H3,(H,23,26)
InChIKeyGLSCMCFYVXHRFO-UHFFFAOYSA-N
XLogP4.04
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 43843751
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
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-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
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
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
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
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 43843478) is 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccccc1C(CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)N(C)C.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GLSCMCFYVXHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-25(2)18(16-6-4-5-7-19(16)27-3)13-23-21(26)17-12-20(28-24-17)14-8-10-15(22)11-9-14/h4-12,18H,13H2,1-3H3,(H,23,26).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43843478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).