2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

C13H12N4O4 — CID 110608029

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)no1
InChIInChI=1S/C13H12N4O4/c1-7-14-11(16-21-7)6-12(18)15-8-3-4-10-9(5-8)17(2)13(19)20-10/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyUZNAGFKHWAOPGC-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.00
Rot. Bonds3

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110608029) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
PubChem CID110608029
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)no1
InChIInChI=1S/C13H12N4O4/c1-7-14-11(16-21-7)6-12(18)15-8-3-4-10-9(5-8)17(2)13(19)20-10/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyUZNAGFKHWAOPGC-UHFFFAOYSA-N
XLogP1.00
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide with MolForge

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Related Compounds

3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110608265
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774208
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110608052
3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
CID 110608030
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662032

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (CID 110608029) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is Cc1nc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is UZNAGFKHWAOPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-7-14-11(16-21-7)6-12(18)15-8-3-4-10-9(5-8)17(2)13(19)20-10/h3-5H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 288.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).