3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide

C16H19N3O3 — CID 113135674

IUPAC3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cc(C)on1
InChIInChI=1S/C16H19N3O3/c1-12-10-15(18-22-12)19(13(2)20)9-8-16(21)17-11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,21)
InChIKeyWGSAKIOQGRZTOQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.04
Rot. Bonds6

About 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide (PubChem CID 113135674) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide.

Molecular Properties

Compound Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
PubChem CID113135674
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1cc(C)on1
InChIInChI=1S/C16H19N3O3/c1-12-10-15(18-22-12)19(13(2)20)9-8-16(21)17-11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,21)
InChIKeyWGSAKIOQGRZTOQ-UHFFFAOYSA-N
XLogP2.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide
CID 113135844
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide
CID 113135793
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-acetylphenyl)propanamide
CID 113135794
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113181770
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113135778
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide?
The IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide (CID 113135674) is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide.
What is the SMILES notation for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide?
The canonical SMILES for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide is CC(=O)N(CCC(=O)NCc1ccccc1)c1cc(C)on1.
What is the InChIKey of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide?
The InChIKey is WGSAKIOQGRZTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-10-15(18-22-12)19(13(2)20)9-8-16(21)17-11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,21).
What are the key properties of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide?
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide has a molecular weight of 301.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide is sourced from PubChem (CID 113135674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).