N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C20H19BrN2O2 — CID 55576627

IUPACN-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C20H19BrN2O2/c1-14-5-7-16(8-6-14)18-13-23-20(25-18)10-9-19(24)22-12-15-3-2-4-17(21)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,22,24)
InChIKeyBYDXEFNWGOAMMG-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.66
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 55576627) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID55576627
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC NameN-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C20H19BrN2O2/c1-14-5-7-16(8-6-14)18-13-23-20(25-18)10-9-19(24)22-12-15-3-2-4-17(21)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,22,24)
InChIKeyBYDXEFNWGOAMMG-UHFFFAOYSA-N
XLogP4.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide 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

N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 108784772
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 55576627) is N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NCc3cccc(Br)c3)o2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is BYDXEFNWGOAMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-14-5-7-16(8-6-14)18-13-23-20(25-18)10-9-19(24)22-12-15-3-2-4-17(21)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 399.29 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 55576627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).