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

C13H16N4O4 — CID 113135846

IUPAC3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)on1)c1cc(C)on1
InChIInChI=1S/C13H16N4O4/c1-8-6-11(15-20-8)14-13(19)4-5-17(10(3)18)12-7-9(2)21-16-12/h6-7H,4-5H2,1-3H3,(H,14,15,19)
InChIKeyAPPUAOHDIXSBMJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.66
Rot. Bonds5

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

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 113135846) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID113135846
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)on1)c1cc(C)on1
InChIInChI=1S/C13H16N4O4/c1-8-6-11(15-20-8)14-13(19)4-5-17(10(3)18)12-7-9(2)21-16-12/h6-7H,4-5H2,1-3H3,(H,14,15,19)
InChIKeyAPPUAOHDIXSBMJ-UHFFFAOYSA-N
XLogP1.66
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
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-(2,6-difluorophenyl)propanamide
CID 113135844
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide
CID 113135793
3-(N-acetyl-3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113134153
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-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113135819
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113135801
ethyl 4-[acetyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]benzoate
CID 113133389
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113129681

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 113135846) is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)on1)c1cc(C)on1.
What is the InChIKey of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is APPUAOHDIXSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8-6-11(15-20-8)14-13(19)4-5-17(10(3)18)12-7-9(2)21-16-12/h6-7H,4-5H2,1-3H3,(H,14,15,19).
What are the key properties of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 292.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 113135846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).