N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide

C9H15N3O3 — CID 71932293

IUPACN-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
SMILESCCCCNC(=O)COc1nc(C)no1
InChIInChI=1S/C9H15N3O3/c1-3-4-5-10-8(13)6-14-9-11-7(2)12-15-9/h3-6H2,1-2H3,(H,10,13)
InChIKeyRKHGKPYROLLYNV-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.67
Rot. Bonds6

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

N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide (PubChem CID 71932293) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
PubChem CID71932293
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
SMILESCCCCNC(=O)COc1nc(C)no1
InChIInChI=1S/C9H15N3O3/c1-3-4-5-10-8(13)6-14-9-11-7(2)12-15-9/h3-6H2,1-2H3,(H,10,13)
InChIKeyRKHGKPYROLLYNV-UHFFFAOYSA-N
XLogP0.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.67
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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one
CID 130671415
N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 71932292
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 163977516
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064564
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide
CID 56783313

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The IUPAC name of N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide (CID 71932293) is N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide.
What is the SMILES notation for N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The canonical SMILES for N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide is CCCCNC(=O)COc1nc(C)no1.
What is the InChIKey of N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The InChIKey is RKHGKPYROLLYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-5-10-8(13)6-14-9-11-7(2)12-15-9/h3-6H2,1-2H3,(H,10,13).
What are the key properties of N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide has a molecular weight of 213.24 g/mol, XLogP of 0.67, 6 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-1,2,4-oxadiazol-5-yl)oxy]acetamide is sourced from PubChem (CID 71932293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).