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

C17H19N3O4 — CID 113135793

IUPAC3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2cc(C)on2)c1
InChIInChI=1S/C17H19N3O4/c1-11-9-16(19-24-11)20(13(3)22)8-7-17(23)18-15-6-4-5-14(10-15)12(2)21/h4-6,9-10H,7-8H2,1-3H3,(H,18,23)
InChIKeyKIRIXYMWRVOLOK-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.57
Rot. Bonds6

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

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide (PubChem CID 113135793) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide
PubChem CID113135793
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2cc(C)on2)c1
InChIInChI=1S/C17H19N3O4/c1-11-9-16(19-24-11)20(13(3)22)8-7-17(23)18-15-6-4-5-14(10-15)12(2)21/h4-6,9-10H,7-8H2,1-3H3,(H,18,23)
InChIKeyKIRIXYMWRVOLOK-UHFFFAOYSA-N
XLogP2.57
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113135778
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-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113135819
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chlorophenyl)acetamide
CID 113181857
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide?
The IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide (CID 113135793) is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide is CC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2cc(C)on2)c1.
What is the InChIKey of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide?
The InChIKey is KIRIXYMWRVOLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-9-16(19-24-11)20(13(3)22)8-7-17(23)18-15-6-4-5-14(10-15)12(2)21/h4-6,9-10H,7-8H2,1-3H3,(H,18,23).
What are the key properties of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide?
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide has a molecular weight of 329.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide is sourced from PubChem (CID 113135793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).