3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C20H18BrN3O3 — CID 74170896

IUPAC3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccc(Br)c2)no1
InChIInChI=1S/C20H18BrN3O3/c1-13-10-18(24-27-13)23-20(26)17(11-14-6-3-2-4-7-14)22-19(25)15-8-5-9-16(21)12-15/h2-10,12,17H,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyNSYWWICCUQGTRU-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.73
Rot. Bonds6

About 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 74170896) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID74170896
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccc(Br)c2)no1
InChIInChI=1S/C20H18BrN3O3/c1-13-10-18(24-27-13)23-20(26)17(11-14-6-3-2-4-7-14)22-19(25)15-8-5-9-16(21)12-15/h2-10,12,17H,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyNSYWWICCUQGTRU-UHFFFAOYSA-N
XLogP3.73
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide
CID 110673292
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]-3-bromobenzamide
CID 4990800
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
CID 95153740
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 113002377
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
CID 74170909
N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
CID 5187647
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 74170896) is 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1cc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccc(Br)c2)no1.
What is the InChIKey of 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is NSYWWICCUQGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-13-10-18(24-27-13)23-20(26)17(11-14-6-3-2-4-7-14)22-19(25)15-8-5-9-16(21)12-15/h2-10,12,17H,11H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 428.29 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 74170896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).