(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C14H15BrN2O3 — CID 40810164

IUPAC(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H15BrN2O3/c1-3-12(19-11-6-4-5-10(15)8-11)14(18)16-13-7-9(2)20-17-13/h4-8,12H,3H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyAMUROUYCQVFROA-GFCCVEGCSA-N
MW339.19 g/mol
LogP3.54
Rot. Bonds5

About (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 40810164) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID40810164
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H15BrN2O3/c1-3-12(19-11-6-4-5-10(15)8-11)14(18)16-13-7-9(2)20-17-13/h4-8,12H,3H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyAMUROUYCQVFROA-GFCCVEGCSA-N
XLogP3.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 95354548
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide
CID 46650326
2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 46763093
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 5-bromopyridine-3-carboxylate
CID 17397365
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 55445645

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 40810164) is (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is AMUROUYCQVFROA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-12(19-11-6-4-5-10(15)8-11)14(18)16-13-7-9(2)20-17-13/h4-8,12H,3H2,1-2H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 339.19 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 40810164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).