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

C15H15N3O5 — CID 113181908

IUPAC2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cc(C)on1
InChIInChI=1S/C15H15N3O5/c1-9-5-14(17-23-9)18(10(2)19)7-15(20)16-11-3-4-12-13(6-11)22-8-21-12/h3-6H,7-8H2,1-2H3,(H,16,20)
InChIKeyQRQBBWQOPDPUAL-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.70
Rot. Bonds4

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

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113181908) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113181908
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cc(C)on1
InChIInChI=1S/C15H15N3O5/c1-9-5-14(17-23-9)18(10(2)19)7-15(20)16-11-3-4-12-13(6-11)22-8-21-12/h3-6H,7-8H2,1-2H3,(H,16,20)
InChIKeyQRQBBWQOPDPUAL-UHFFFAOYSA-N
XLogP1.70
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.70
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-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113135819
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113181855
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chlorophenyl)acetamide
CID 113181857
ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 113181912
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113181841
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113181914
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113174167

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 113181908) is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cc(C)on1.
What is the InChIKey of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is QRQBBWQOPDPUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-9-5-14(17-23-9)18(10(2)19)7-15(20)16-11-3-4-12-13(6-11)22-8-21-12/h3-6H,7-8H2,1-2H3,(H,16,20).
What are the key properties of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 317.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113181908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).