2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide

C23H15Cl3N2O2 — CID 100512579

IUPAC2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H15Cl3N2O2/c24-16-8-5-14(6-9-16)21-13-28-23(30-21)19-4-2-1-3-18(19)22(29)27-12-15-7-10-17(25)11-20(15)26/h1-11,13H,12H2,(H,27,29)
InChIKeyUIDJTIISAUUBLG-UHFFFAOYSA-N
MW457.74 g/mol
LogP6.90
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide (PubChem CID 100512579) has the molecular formula C23H15Cl3N2O2 and a molecular weight of 457.74 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
PubChem CID100512579
Molecular FormulaC23H15Cl3N2O2
Molecular Weight457.74 g/mol
Exact Mass456.02
IUPAC Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H15Cl3N2O2/c24-16-8-5-14(6-9-16)21-13-28-23(30-21)19-4-2-1-3-18(19)22(29)27-12-15-7-10-17(25)11-20(15)26/h1-11,13H,12H2,(H,27,29)
InChIKeyUIDJTIISAUUBLG-UHFFFAOYSA-N
XLogP6.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.74
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502024
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100510696
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500156
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100512478
N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100505980
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100513460
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30888636

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide (CID 100512579) is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
The InChIKey is UIDJTIISAUUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O2/c24-16-8-5-14(6-9-16)21-13-28-23(30-21)19-4-2-1-3-18(19)22(29)27-12-15-7-10-17(25)11-20(15)26/h1-11,13H,12H2,(H,27,29).
What are the key properties of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide has a molecular weight of 457.74 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide is sourced from PubChem (CID 100512579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).