4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide

C23H24ClN3O3 — CID 55894851

IUPAC4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H24ClN3O3/c1-2-13-25-23(29)18-12-11-17(24)14-19(18)27-21(28)9-6-10-22-26-15-20(30-22)16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,2,6,9-10,13H2,1H3,(H,25,29)(H,27,28)
InChIKeyOZGJUEZAMLEMFZ-UHFFFAOYSA-N
MW425.92 g/mol
LogP5.10
Rot. Bonds9

About 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide

4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide (PubChem CID 55894851) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide
PubChem CID55894851
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H24ClN3O3/c1-2-13-25-23(29)18-12-11-17(24)14-19(18)27-21(28)9-6-10-22-26-15-20(30-22)16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,2,6,9-10,13H2,1H3,(H,25,29)(H,27,28)
InChIKeyOZGJUEZAMLEMFZ-UHFFFAOYSA-N
XLogP5.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide 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

2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 86986097
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38898960
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide (CID 55894851) is 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide?
The InChIKey is OZGJUEZAMLEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-2-13-25-23(29)18-12-11-17(24)14-19(18)27-21(28)9-6-10-22-26-15-20(30-22)16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,2,6,9-10,13H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide?
4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide has a molecular weight of 425.92 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55894851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).