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

C14H14BrN3O3 — CID 113002377

IUPAC2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
SMILESCc1cc(NC(=O)CNC(=O)Cc2cccc(Br)c2)no1
InChIInChI=1S/C14H14BrN3O3/c1-9-5-12(18-21-9)17-14(20)8-16-13(19)7-10-3-2-4-11(15)6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyDEYHQAPFLHZFML-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.04
Rot. Bonds5

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

2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide (PubChem CID 113002377) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
PubChem CID113002377
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
SMILESCc1cc(NC(=O)CNC(=O)Cc2cccc(Br)c2)no1
InChIInChI=1S/C14H14BrN3O3/c1-9-5-12(18-21-9)17-14(20)8-16-13(19)7-10-3-2-4-11(15)6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyDEYHQAPFLHZFML-UHFFFAOYSA-N
XLogP2.04
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide 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-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
2-[(3-bromophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 56827840
2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
CID 112996471
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(3-bromophenyl)acetamide
CID 113000628
3-bromo-N-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5121971
3-bromo-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3456125

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide (CID 113002377) is 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide is Cc1cc(NC(=O)CNC(=O)Cc2cccc(Br)c2)no1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is DEYHQAPFLHZFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-9-5-12(18-21-9)17-14(20)8-16-13(19)7-10-3-2-4-11(15)6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 352.19 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 113002377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).