3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide

C18H23N3O3 — CID 113135759

IUPAC3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cc(C)on1
InChIInChI=1S/C18H23N3O3/c1-11-8-12(2)18(13(3)9-11)19-17(23)6-7-21(15(5)22)16-10-14(4)24-20-16/h8-10H,6-7H2,1-5H3,(H,19,23)
InChIKeyMXLFLBMSETVTPN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.29
Rot. Bonds5

About 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 113135759) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID113135759
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cc(C)on1
InChIInChI=1S/C18H23N3O3/c1-11-8-12(2)18(13(3)9-11)19-17(23)6-7-21(15(5)22)16-10-14(4)24-20-16/h8-10H,6-7H2,1-5H3,(H,19,23)
InChIKeyMXLFLBMSETVTPN-UHFFFAOYSA-N
XLogP3.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.29
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-(4-acetylphenyl)propanamide
CID 113135794
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-(3-acetylphenyl)propanamide
CID 113135793
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113181841
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
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113135801
3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113132906

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide (CID 113135759) is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cc(C)on1.
What is the InChIKey of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is MXLFLBMSETVTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-8-12(2)18(13(3)9-11)19-17(23)6-7-21(15(5)22)16-10-14(4)24-20-16/h8-10H,6-7H2,1-5H3,(H,19,23).
What are the key properties of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 3.29, 5 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-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 113135759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).