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

C17H19N3O5 — CID 113135819

IUPAC3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc2c(c1)OCCO2)c1cc(C)on1
InChIInChI=1S/C17H19N3O5/c1-11-9-16(19-25-11)20(12(2)21)6-5-17(22)18-13-3-4-14-15(10-13)24-8-7-23-14/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)
InChIKeyOITWTHVCYKMVTO-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.14
Rot. Bonds5

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

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 113135819) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID113135819
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc2c(c1)OCCO2)c1cc(C)on1
InChIInChI=1S/C17H19N3O5/c1-11-9-16(19-25-11)20(12(2)21)6-5-17(22)18-13-3-4-14-15(10-13)24-8-7-23-14/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)
InChIKeyOITWTHVCYKMVTO-UHFFFAOYSA-N
XLogP2.14
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113181908
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(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
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-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113127938
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide
CID 113135844
3-[acetyl(propyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113115082
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113129799

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 113135819) is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(=O)N(CCC(=O)Nc1ccc2c(c1)OCCO2)c1cc(C)on1.
What is the InChIKey of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is OITWTHVCYKMVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-11-9-16(19-25-11)20(12(2)21)6-5-17(22)18-13-3-4-14-15(10-13)24-8-7-23-14/h3-4,9-10H,5-8H2,1-2H3,(H,18,22).
What are the key properties of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 345.36 g/mol, XLogP of 2.14, 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-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 113135819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).