N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide

C22H23ClN2O3 — CID 134011407

IUPACN-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H23ClN2O3/c1-27-14-13-25(16-17-5-3-2-4-6-17)22(26)12-11-21-24-15-20(28-21)18-7-9-19(23)10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyGYTXLWXMKOJCLF-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.60
Rot. Bonds9

About N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide

N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 134011407) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide
PubChem CID134011407
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC NameN-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H23ClN2O3/c1-27-14-13-25(16-17-5-3-2-4-6-17)22(26)12-11-21-24-15-20(28-21)18-7-9-19(23)10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyGYTXLWXMKOJCLF-UHFFFAOYSA-N
XLogP4.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94562085
2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid
CID 119188959
4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511531
N-benzyl-N-phenyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29438436
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
CID 119347414
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
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-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38259815
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 60608120

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide (CID 134011407) is N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide is COCCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is GYTXLWXMKOJCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-27-14-13-25(16-17-5-3-2-4-6-17)22(26)12-11-21-24-15-20(28-21)18-7-9-19(23)10-8-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide?
N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 398.89 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 134011407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).