N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide

C10H17N3O3 — CID 137124180

IUPACN-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide
SMILESCCCC(=O)NCC(C)(C)c1noc(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-4-5-7(14)11-6-10(2,3)8-12-9(15)16-13-8/h4-6H2,1-3H3,(H,11,14)(H,12,13,15)
InChIKeyKJKWPZDCNYALIS-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.56
Rot. Bonds5

About N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide

N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide (PubChem CID 137124180) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide
PubChem CID137124180
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide
SMILESCCCC(=O)NCC(C)(C)c1noc(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-4-5-7(14)11-6-10(2,3)8-12-9(15)16-13-8/h4-6H2,1-3H3,(H,11,14)(H,12,13,15)
InChIKeyKJKWPZDCNYALIS-UHFFFAOYSA-N
XLogP0.56
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide?
The IUPAC name of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide (CID 137124180) is N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide.
What is the SMILES notation for N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide?
The canonical SMILES for N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide is CCCC(=O)NCC(C)(C)c1noc(=O)[nH]1.
What is the InChIKey of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide?
The InChIKey is KJKWPZDCNYALIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-5-7(14)11-6-10(2,3)8-12-9(15)16-13-8/h4-6H2,1-3H3,(H,11,14)(H,12,13,15).
What are the key properties of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide?
N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide has a molecular weight of 227.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide is sourced from PubChem (CID 137124180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).