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

C15H15F2N3O3 — CID 113135844

IUPAC3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(F)cccc1F)c1cc(C)on1
InChIInChI=1S/C15H15F2N3O3/c1-9-8-13(19-23-9)20(10(2)21)7-6-14(22)18-15-11(16)4-3-5-12(15)17/h3-5,8H,6-7H2,1-2H3,(H,18,22)
InChIKeyYJZNXNOVDUJMDC-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.64
Rot. Bonds5

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

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide (PubChem CID 113135844) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide
PubChem CID113135844
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(F)cccc1F)c1cc(C)on1
InChIInChI=1S/C15H15F2N3O3/c1-9-8-13(19-23-9)20(10(2)21)7-6-14(22)18-15-11(16)4-3-5-12(15)17/h3-5,8H,6-7H2,1-2H3,(H,18,22)
InChIKeyYJZNXNOVDUJMDC-UHFFFAOYSA-N
XLogP2.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.64
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-(2,4,6-trimethylphenyl)propanamide
CID 113135759
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
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-benzylpropanamide
CID 113135674
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
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
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113181770
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113135801
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 113135320

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide (CID 113135844) is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(F)cccc1F)c1cc(C)on1.
What is the InChIKey of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide?
The InChIKey is YJZNXNOVDUJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-9-8-13(19-23-9)20(10(2)21)7-6-14(22)18-15-11(16)4-3-5-12(15)17/h3-5,8H,6-7H2,1-2H3,(H,18,22).
What are the key properties of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide?
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide has a molecular weight of 323.30 g/mol, XLogP of 2.64, 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-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 113135844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).