4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide

C24H26ClN3O3 — CID 56511531

IUPAC4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H26ClN3O3/c1-4-28(16-17-5-7-19(8-6-17)24(30)27(2)3)23(29)14-13-22-26-15-21(31-22)18-9-11-20(25)12-10-18/h5-12,15H,4,13-14,16H2,1-3H3
InChIKeyBTLLUGDUGZZBFK-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.68
Rot. Bonds8

About 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide

4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511531) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID56511531
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H26ClN3O3/c1-4-28(16-17-5-7-19(8-6-17)24(30)27(2)3)23(29)14-13-22-26-15-21(31-22)18-9-11-20(25)12-10-18/h5-12,15H,4,13-14,16H2,1-3H3
InChIKeyBTLLUGDUGZZBFK-UHFFFAOYSA-N
XLogP4.68
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 134011407
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55518700
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 30902236
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 38229038
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
N-benzyl-N-(2-methoxyethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94562085
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpropanamide
CID 55611874
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 60608120
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38259815

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide (CID 56511531) is 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is BTLLUGDUGZZBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-4-28(16-17-5-7-19(8-6-17)24(30)27(2)3)23(29)14-13-22-26-15-21(31-22)18-9-11-20(25)12-10-18/h5-12,15H,4,13-14,16H2,1-3H3.
What are the key properties of 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 439.94 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).