N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C20H18Cl2N2O2 — CID 29413645

IUPACN-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H18Cl2N2O2/c1-24(13-14-5-3-2-4-6-14)20(25)10-9-19-23-12-18(26-19)16-8-7-15(21)11-17(16)22/h2-8,11-12H,9-10,13H2,1H3
InChIKeyWBMPBOMHVQOZBW-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.24
Rot. Bonds6

About N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 29413645) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID29413645
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H18Cl2N2O2/c1-24(13-14-5-3-2-4-6-14)20(25)10-9-19-23-12-18(26-19)16-8-7-15(21)11-17(16)22/h2-8,11-12H,9-10,13H2,1H3
InChIKeyWBMPBOMHVQOZBW-UHFFFAOYSA-N
XLogP5.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 86943481
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]propanoic acid
CID 119208683
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 24651784
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18161298
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 55494607
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 29413645) is N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is WBMPBOMHVQOZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-24(13-14-5-3-2-4-6-14)20(25)10-9-19-23-12-18(26-19)16-8-7-15(21)11-17(16)22/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 389.28 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 29413645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).