2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

C10H18N4O2 — CID 106416217

IUPAC2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(C)(N)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C10H18N4O2/c1-4-10(3,11)9(15)12-6-5-8-13-7(2)16-14-8/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyVQFZPKKBIAERTC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.16
Rot. Bonds5

About 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 106416217) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID106416217
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(C)(N)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C10H18N4O2/c1-4-10(3,11)9(15)12-6-5-8-13-7(2)16-14-8/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyVQFZPKKBIAERTC-UHFFFAOYSA-N
XLogP0.16
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106417457
2-amino-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811688
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106420330
3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422842
2-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide
CID 97226714
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide
CID 106416066
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 106416217) is 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is CCC(C)(N)C(=O)NCCc1noc(C)n1.
What is the InChIKey of 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is VQFZPKKBIAERTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-10(3,11)9(15)12-6-5-8-13-7(2)16-14-8/h4-6,11H2,1-3H3,(H,12,15).
What are the key properties of 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 226.28 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 106416217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).