N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide

C10H18N4O2 — CID 106399910

IUPACN-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCCC(C)NC(=O)CNCCc1ncno1
InChIInChI=1S/C10H18N4O2/c1-3-8(2)14-9(15)6-11-5-4-10-12-7-13-16-10/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeySFZOZHYGJBDWND-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.12
Rot. Bonds7

About N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide

N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide (PubChem CID 106399910) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
PubChem CID106399910
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCCC(C)NC(=O)CNCCc1ncno1
InChIInChI=1S/C10H18N4O2/c1-3-8(2)14-9(15)6-11-5-4-10-12-7-13-16-10/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeySFZOZHYGJBDWND-UHFFFAOYSA-N
XLogP0.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]but-2-enoic acid
CID 106401980
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide
CID 114185435
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106399310

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide (CID 106399910) is N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide is CCC(C)NC(=O)CNCCc1ncno1.
What is the InChIKey of N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The InChIKey is SFZOZHYGJBDWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-8(2)14-9(15)6-11-5-4-10-12-7-13-16-10/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide has a molecular weight of 226.28 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 106399910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).