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

C9H15N3O3 — CID 146082714

IUPACN-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCCCNC(=O)Cn1c(C)noc1=O
InChIInChI=1S/C9H15N3O3/c1-3-4-5-10-8(13)6-12-7(2)11-15-9(12)14/h3-6H2,1-2H3,(H,10,13)
InChIKeyYYYGCWHMNJDOPY-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.06
Rot. Bonds5

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

N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 146082714) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID146082714
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCCCNC(=O)Cn1c(C)noc1=O
InChIInChI=1S/C9H15N3O3/c1-3-4-5-10-8(13)6-12-7(2)11-15-9(12)14/h3-6H2,1-2H3,(H,10,13)
InChIKeyYYYGCWHMNJDOPY-UHFFFAOYSA-N
XLogP0.06
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082744
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082827
N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130685667
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240
N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146075502
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
CID 146082711
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082763
N-cyclopentyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082768
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082823
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide
CID 154810400

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (CID 146082714) is N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is CCCCNC(=O)Cn1c(C)noc1=O.
What is the InChIKey of N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is YYYGCWHMNJDOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-5-10-8(13)6-12-7(2)11-15-9(12)14/h3-6H2,1-2H3,(H,10,13).
What are the key properties of N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 213.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 146082714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).