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

C22H14BrClN2O2 — CID 100511057

IUPAC2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C22H14BrClN2O2/c23-15-5-3-4-14(12-15)20-13-25-22(28-20)19-7-2-1-6-18(19)21(27)26-17-10-8-16(24)9-11-17/h1-13H,(H,26,27)
InChIKeyMAXCKMSAPRYRSG-UHFFFAOYSA-N
MW453.72 g/mol
LogP6.68
Rot. Bonds4

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

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide (PubChem CID 100511057) has the molecular formula C22H14BrClN2O2 and a molecular weight of 453.72 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
PubChem CID100511057
Molecular FormulaC22H14BrClN2O2
Molecular Weight453.72 g/mol
Exact Mass451.99
IUPAC Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C22H14BrClN2O2/c23-15-5-3-4-14(12-15)20-13-25-22(28-20)19-7-2-1-6-18(19)21(27)26-17-10-8-16(24)9-11-17/h1-13H,(H,26,27)
InChIKeyMAXCKMSAPRYRSG-UHFFFAOYSA-N
XLogP6.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.72
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-fluorophenyl)benzamide
CID 100510992
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-(3,4-dimethylphenyl)benzamide
CID 100512790
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-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
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
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100509056
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
CID 100509537
2-chloro-N-methyl-5-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]benzamide
CID 55836034

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide (CID 100511057) is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide?
The InChIKey is MAXCKMSAPRYRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN2O2/c23-15-5-3-4-14(12-15)20-13-25-22(28-20)19-7-2-1-6-18(19)21(27)26-17-10-8-16(24)9-11-17/h1-13H,(H,26,27).
What are the key properties of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide?
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide has a molecular weight of 453.72 g/mol, XLogP of 6.68, 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-(4-chlorophenyl)benzamide is sourced from PubChem (CID 100511057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).