N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

C26H22ClN3O3 — CID 24676617

IUPACN-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H22ClN3O3/c27-21-12-6-4-10-19(21)23-17-28-25(33-23)15-14-24(31)30-22-13-7-5-11-20(22)26(32)29-16-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,29,32)(H,30,31)
InChIKeyNFHKUFMWUPGLSJ-UHFFFAOYSA-N
MW459.93 g/mol
LogP5.50
Rot. Bonds8

About N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (PubChem CID 24676617) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
PubChem CID24676617
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC NameN-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H22ClN3O3/c27-21-12-6-4-10-19(21)23-17-28-25(33-23)15-14-24(31)30-22-13-7-5-11-20(22)26(32)29-16-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,29,32)(H,30,31)
InChIKeyNFHKUFMWUPGLSJ-UHFFFAOYSA-N
XLogP5.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.93
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909
2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide
CID 16592578
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 55991548
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 16600031
3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876892
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16596029
N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 55494267
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16598980

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The IUPAC name of N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (CID 24676617) is N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The canonical SMILES for N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The InChIKey is NFHKUFMWUPGLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c27-21-12-6-4-10-19(21)23-17-28-25(33-23)15-14-24(31)30-22-13-7-5-11-20(22)26(32)29-16-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,29,32)(H,30,31).
What are the key properties of N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide has a molecular weight of 459.93 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 24676617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).