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

C28H19BrN2O3 — CID 100509537

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C28H19BrN2O3/c29-20-12-10-19(11-13-20)26-18-30-28(34-26)25-9-5-4-8-24(25)27(32)31-21-14-16-23(17-15-21)33-22-6-2-1-3-7-22/h1-18H,(H,31,32)
InChIKeyAAGWUVIZXAXLOV-UHFFFAOYSA-N
MW511.38 g/mol
LogP7.82
Rot. Bonds6

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide (PubChem CID 100509537) has the molecular formula C28H19BrN2O3 and a molecular weight of 511.38 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
PubChem CID100509537
Molecular FormulaC28H19BrN2O3
Molecular Weight511.38 g/mol
Exact Mass510.06
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C28H19BrN2O3/c29-20-12-10-19(11-13-20)26-18-30-28(34-26)25-9-5-4-8-24(25)27(32)31-21-14-16-23(17-15-21)33-22-6-2-1-3-7-22/h1-18H,(H,31,32)
InChIKeyAAGWUVIZXAXLOV-UHFFFAOYSA-N
XLogP7.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.38
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100509056
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
2-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676064

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide (CID 100509537) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide?
The InChIKey is AAGWUVIZXAXLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrN2O3/c29-20-12-10-19(11-13-20)26-18-30-28(34-26)25-9-5-4-8-24(25)27(32)31-21-14-16-23(17-15-21)33-22-6-2-1-3-7-22/h1-18H,(H,31,32).
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide has a molecular weight of 511.38 g/mol, XLogP of 7.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 100509537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).