5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide

C13H13N3O3 — CID 5302838

IUPAC5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1onc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C13H13N3O3/c1-8(17)12-10(14)11(16-19-12)13(18)15-7-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyMYAFEVLOJSTGPS-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.39
Rot. Bonds4

About 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide

5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide (PubChem CID 5302838) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide
PubChem CID5302838
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1onc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C13H13N3O3/c1-8(17)12-10(14)11(16-19-12)13(18)15-7-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyMYAFEVLOJSTGPS-UHFFFAOYSA-N
XLogP1.39
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide (CID 5302838) is 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide is CC(=O)c1onc(C(=O)NCc2ccccc2)c1N.
What is the InChIKey of 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide?
The InChIKey is MYAFEVLOJSTGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(17)12-10(14)11(16-19-12)13(18)15-7-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide?
5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5302838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).