(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C15H18BrN3O2 — CID 94589884

IUPAC(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2Br)on1
InChIInChI=1S/C15H18BrN3O2/c1-10-8-14(21-18-10)17-15(20)11(2)19(3)9-12-6-4-5-7-13(12)16/h4-8,11H,9H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyPUXKDEAGIJHCSG-LLVKDONJSA-N
MW352.23 g/mol
LogP3.20
Rot. Bonds5

About (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 94589884) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID94589884
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2Br)on1
InChIInChI=1S/C15H18BrN3O2/c1-10-8-14(21-18-10)17-15(20)11(2)19(3)9-12-6-4-5-7-13(12)16/h4-8,11H,9H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyPUXKDEAGIJHCSG-LLVKDONJSA-N
XLogP3.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 36969125
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 71983485
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
CID 60705715
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46508622
2-[methyl-[3-(3-methylsulfonylphenoxy)propyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 48941722
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
CID 55430697
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42957860
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 94589884) is (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2Br)on1.
What is the InChIKey of (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is PUXKDEAGIJHCSG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-8-14(21-18-10)17-15(20)11(2)19(3)9-12-6-4-5-7-13(12)16/h4-8,11H,9H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 352.23 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 94589884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).