2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C12H16N4O4 — CID 146082697

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(C(C)(C)C)noc2=O)no1
InChIInChI=1S/C12H16N4O4/c1-7-5-8(14-19-7)13-9(17)6-16-10(12(2,3)4)15-20-11(16)18/h5H,6H2,1-4H3,(H,13,14,17)
InChIKeyVBKSCUJOUDMOHX-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.07
Rot. Bonds3

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

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 146082697) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID146082697
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(C(C)(C)C)noc2=O)no1
InChIInChI=1S/C12H16N4O4/c1-7-5-8(14-19-7)13-9(17)6-16-10(12(2,3)4)15-20-11(16)18/h5H,6H2,1-4H3,(H,13,14,17)
InChIKeyVBKSCUJOUDMOHX-UHFFFAOYSA-N
XLogP1.07
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71864510
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110686831
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2525364
2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3932221
2-imidazol-1-yl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17410061
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51368489
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080451
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95917582
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 146082697) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(C(C)(C)C)noc2=O)no1.
What is the InChIKey of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VBKSCUJOUDMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-5-8(14-19-7)13-9(17)6-16-10(12(2,3)4)15-20-11(16)18/h5H,6H2,1-4H3,(H,13,14,17).
What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 280.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 146082697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).