2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H18BrN3O2 — CID 9263205

IUPAC2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1cc(C)on1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2/c1-3-13(11-4-6-12(16)7-5-11)17-9-15(20)18-14-8-10(2)21-19-14/h4-8,13,17H,3,9H2,1-2H3,(H,18,19,20)/t13-/m1/s1
InChIKeyPPLLBZPCZIUFJK-CYBMUJFWSA-N
MW352.23 g/mol
LogP3.42
Rot. Bonds6

About 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 9263205) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID9263205
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1cc(C)on1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2/c1-3-13(11-4-6-12(16)7-5-11)17-9-15(20)18-14-8-10(2)21-19-14/h4-8,13,17H,3,9H2,1-2H3,(H,18,19,20)/t13-/m1/s1
InChIKeyPPLLBZPCZIUFJK-CYBMUJFWSA-N
XLogP3.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
CID 9263209
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9263718
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
CID 9263761
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9263873

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 9263205) is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC[C@@H](NCC(=O)Nc1cc(C)on1)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PPLLBZPCZIUFJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-3-13(11-4-6-12(16)7-5-11)17-9-15(20)18-14-8-10(2)21-19-14/h4-8,13,17H,3,9H2,1-2H3,(H,18,19,20)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 352.23 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 9263205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).