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

C14H15BrN2O3 — CID 17425921

IUPAC2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Oc1ccccc1Br)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H15BrN2O3/c1-3-11(19-12-7-5-4-6-10(12)15)14(18)16-13-8-9(2)20-17-13/h4-8,11H,3H2,1-2H3,(H,16,17,18)
InChIKeyKOTFEJOTIPSABP-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.54
Rot. Bonds5

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

2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 17425921) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID17425921
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Oc1ccccc1Br)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H15BrN2O3/c1-3-11(19-12-7-5-4-6-10(12)15)14(18)16-13-8-9(2)20-17-13/h4-8,11H,3H2,1-2H3,(H,16,17,18)
InChIKeyKOTFEJOTIPSABP-UHFFFAOYSA-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

Analyze 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(difluoromethoxy)benzoate
CID 18100896
4-methoxy-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 18103303
N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 95354548
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (E)-3-phenylprop-2-enoate
CID 46683493
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(methylamino)benzoate
CID 16572251

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 17425921) is 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Oc1ccccc1Br)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is KOTFEJOTIPSABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-11(19-12-7-5-4-6-10(12)15)14(18)16-13-8-9(2)20-17-13/h4-8,11H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(2-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 2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 17425921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).