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

C22H13BrCl2N2O2 — CID 100511182

IUPAC2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C22H13BrCl2N2O2/c23-14-5-3-4-13(10-14)20-12-26-22(29-20)17-7-2-1-6-16(17)21(28)27-19-11-15(24)8-9-18(19)25/h1-12H,(H,27,28)
InChIKeyMYDRODXHEICYGJ-UHFFFAOYSA-N
MW488.17 g/mol
LogP7.33
Rot. Bonds4

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

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide (PubChem CID 100511182) has the molecular formula C22H13BrCl2N2O2 and a molecular weight of 488.17 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide
PubChem CID100511182
Molecular FormulaC22H13BrCl2N2O2
Molecular Weight488.17 g/mol
Exact Mass485.95
IUPAC Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C22H13BrCl2N2O2/c23-14-5-3-4-13(10-14)20-12-26-22(29-20)17-7-2-1-6-16(17)21(28)27-19-11-15(24)8-9-18(19)25/h1-12H,(H,27,28)
InChIKeyMYDRODXHEICYGJ-UHFFFAOYSA-N
XLogP7.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.17
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
CID 100510992
N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100505980
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100510696
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100510592
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506108
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448
N-(2,3-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500618
N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500666
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133159873
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506441

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide (CID 100511182) is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide?
The InChIKey is MYDRODXHEICYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrCl2N2O2/c23-14-5-3-4-13(10-14)20-12-26-22(29-20)17-7-2-1-6-16(17)21(28)27-19-11-15(24)8-9-18(19)25/h1-12H,(H,27,28).
What are the key properties of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide?
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide has a molecular weight of 488.17 g/mol, XLogP of 7.33, 4 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-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 100511182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).