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

C25H22ClN3O4 — CID 55876892

IUPAC3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H22ClN3O4/c26-21-9-2-1-8-20(21)22-16-28-24(33-22)11-10-23(30)27-14-17-5-3-6-18(13-17)25(31)29-15-19-7-4-12-32-19/h1-9,12-13,16H,10-11,14-15H2,(H,27,30)(H,29,31)
InChIKeyBWYYNPAVWJSPJZ-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.77
Rot. Bonds9

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

3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55876892) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55876892
Molecular FormulaC25H22ClN3O4
Molecular Weight463.92 g/mol
Exact Mass463.13
IUPAC Name3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H22ClN3O4/c26-21-9-2-1-8-20(21)22-16-28-24(33-22)11-10-23(30)27-14-17-5-3-6-18(13-17)25(31)29-15-19-7-4-12-32-19/h1-9,12-13,16H,10-11,14-15H2,(H,27,30)(H,29,31)
InChIKeyBWYYNPAVWJSPJZ-UHFFFAOYSA-N
XLogP4.77
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 24676617
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 46442159
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-[3-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55877656
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16598980
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55876892) is 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is BWYYNPAVWJSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c26-21-9-2-1-8-20(21)22-16-28-24(33-22)11-10-23(30)27-14-17-5-3-6-18(13-17)25(31)29-15-19-7-4-12-32-19/h1-9,12-13,16H,10-11,14-15H2,(H,27,30)(H,29,31).
What are the key properties of 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 463.92 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55876892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).