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

C9H16N4O2 — CID 106397296

IUPAC4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCC(CCN)C(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O2/c1-7(2-4-10)9(14)11-5-3-8-12-6-13-15-8/h6-7H,2-5,10H2,1H3,(H,11,14)
InChIKeyFKNMSGUKHURTLK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.29
Rot. Bonds6

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

4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 106397296) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID106397296
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCC(CCN)C(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O2/c1-7(2-4-10)9(14)11-5-3-8-12-6-13-15-8/h6-7H,2-5,10H2,1H3,(H,11,14)
InChIKeyFKNMSGUKHURTLK-UHFFFAOYSA-N
XLogP-0.29
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106397303
3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-phenylpropanamide
CID 106397456
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
CID 106397552
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106404133
(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 114184488
methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
CID 106401863
3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
CID 114183576
N-(ethylcarbamoyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanamide
CID 106399971

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 106397296) is 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is CC(CCN)C(=O)NCCc1ncno1.
What is the InChIKey of 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is FKNMSGUKHURTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(2-4-10)9(14)11-5-3-8-12-6-13-15-8/h6-7H,2-5,10H2,1H3,(H,11,14).
What are the key properties of 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 212.25 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 106397296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).