2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide

C9H16N4O2 — CID 106397697

IUPAC2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1ncon1
InChIInChI=1S/C9H16N4O2/c1-2-7(5-10)9(14)11-4-3-8-12-6-15-13-8/h6-7H,2-5,10H2,1H3,(H,11,14)
InChIKeyURTIXFFHVLUSQS-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.29
Rot. Bonds6

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

2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 106397697) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID106397697
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1ncon1
InChIInChI=1S/C9H16N4O2/c1-2-7(5-10)9(14)11-4-3-8-12-6-15-13-8/h6-7H,2-5,10H2,1H3,(H,11,14)
InChIKeyURTIXFFHVLUSQS-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

(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106404733
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
6-amino-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397604
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
CID 106397820
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409914
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
6-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397822
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 106397697) is 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide is CCC(CN)C(=O)NCCc1ncon1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is URTIXFFHVLUSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-7(5-10)9(14)11-4-3-8-12-6-15-13-8/h6-7H,2-5,10H2,1H3,(H,11,14).
What are the key properties of 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-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 2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 106397697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).