N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

C20H17Cl2N3O3 — CID 16590165

IUPACN-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C20H17Cl2N3O3/c1-12(26)24-14-3-5-15(6-4-14)25-19(27)8-9-20-23-11-18(28-20)16-7-2-13(21)10-17(16)22/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27)
InChIKeyUCVSQSXJIWRFPE-UHFFFAOYSA-N
MW418.28 g/mol
LogP5.18
Rot. Bonds6

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

N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16590165) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16590165
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC NameN-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C20H17Cl2N3O3/c1-12(26)24-14-3-5-15(6-4-14)25-19(27)8-9-20-23-11-18(28-20)16-7-2-13(21)10-17(16)22/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27)
InChIKeyUCVSQSXJIWRFPE-UHFFFAOYSA-N
XLogP5.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.28
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 16593632
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833342
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16590165) is N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is CC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is UCVSQSXJIWRFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c1-12(26)24-14-3-5-15(6-4-14)25-19(27)8-9-20-23-11-18(28-20)16-7-2-13(21)10-17(16)22/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 418.28 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16590165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).