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

C23H15BrCl2N2O2 — CID 100510696

IUPAC2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C23H15BrCl2N2O2/c24-16-5-3-4-14(10-16)21-13-28-23(30-21)19-7-2-1-6-18(19)22(29)27-12-15-8-9-17(25)11-20(15)26/h1-11,13H,12H2,(H,27,29)
InChIKeyIAVDEMAZHKTZFI-UHFFFAOYSA-N
MW502.20 g/mol
LogP7.01
Rot. Bonds5

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

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide (PubChem CID 100510696) has the molecular formula C23H15BrCl2N2O2 and a molecular weight of 502.20 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
PubChem CID100510696
Molecular FormulaC23H15BrCl2N2O2
Molecular Weight502.20 g/mol
Exact Mass499.97
IUPAC Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C23H15BrCl2N2O2/c24-16-5-3-4-14(10-16)21-13-28-23(30-21)19-7-2-1-6-18(19)22(29)27-12-15-8-9-17(25)11-20(15)26/h1-11,13H,12H2,(H,27,29)
InChIKeyIAVDEMAZHKTZFI-UHFFFAOYSA-N
XLogP7.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.20
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
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-(2,5-dichlorophenyl)benzamide
CID 100511182
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500156
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
CID 100510992
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133159873
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 100510766
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide (CID 100510696) is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
The InChIKey is IAVDEMAZHKTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrCl2N2O2/c24-16-5-3-4-14(10-16)21-13-28-23(30-21)19-7-2-1-6-18(19)22(29)27-12-15-8-9-17(25)11-20(15)26/h1-11,13H,12H2,(H,27,29).
What are the key properties of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide?
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide has a molecular weight of 502.20 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide is sourced from PubChem (CID 100510696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).