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

C20H19BrN2O2 — CID 100508690

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H19BrN2O2/c1-3-13(2)23-19(24)16-6-4-5-7-17(16)20-22-12-18(25-20)14-8-10-15(21)11-9-14/h4-13H,3H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyXIJZDVSEFZQPMK-CYBMUJFWSA-N
MW399.29 g/mol
LogP5.30
Rot. Bonds5

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide (PubChem CID 100508690) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
PubChem CID100508690
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H19BrN2O2/c1-3-13(2)23-19(24)16-6-4-5-7-17(16)20-22-12-18(25-20)14-8-10-15(21)11-9-14/h4-13H,3H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyXIJZDVSEFZQPMK-CYBMUJFWSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
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-(1-methoxypropan-2-yl)benzamide
CID 133150117
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100510298
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 133150118
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
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide (CID 100508690) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide is CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide?
The InChIKey is XIJZDVSEFZQPMK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-3-13(2)23-19(24)16-6-4-5-7-17(16)20-22-12-18(25-20)14-8-10-15(21)11-9-14/h4-13H,3H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide has a molecular weight of 399.29 g/mol, XLogP of 5.30, 5 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)-butan-2-yl]benzamide is sourced from PubChem (CID 100508690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).