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

C26H23BrN2O2 — CID 100510298

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C26H23BrN2O2/c1-18(11-12-19-7-3-2-4-8-19)29-25(30)22-9-5-6-10-23(22)26-28-17-24(31-26)20-13-15-21(27)16-14-20/h2-10,13-18H,11-12H2,1H3,(H,29,30)/t18-/m1/s1
InChIKeyBOBZPIISSKTIFM-GOSISDBHSA-N
MW475.39 g/mol
LogP6.52
Rot. Bonds7

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 100510298) has the molecular formula C26H23BrN2O2 and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID100510298
Molecular FormulaC26H23BrN2O2
Molecular Weight475.39 g/mol
Exact Mass474.09
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C26H23BrN2O2/c1-18(11-12-19-7-3-2-4-8-19)29-25(30)22-9-5-6-10-23(22)26-28-17-24(31-26)20-13-15-21(27)16-14-20/h2-10,13-18H,11-12H2,1H3,(H,29,30)/t18-/m1/s1
InChIKeyBOBZPIISSKTIFM-GOSISDBHSA-N
XLogP6.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100506520
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133150117
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150119
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
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-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 100510298) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide is C[C@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is BOBZPIISSKTIFM-GOSISDBHSA-N. The full InChI is InChI=1S/C26H23BrN2O2/c1-18(11-12-19-7-3-2-4-8-19)29-25(30)22-9-5-6-10-23(22)26-28-17-24(31-26)20-13-15-21(27)16-14-20/h2-10,13-18H,11-12H2,1H3,(H,29,30)/t18-/m1/s1.
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 475.39 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 100510298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).