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

C9H16N4O2 — CID 103810155

IUPAC3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCc1noc(CCNC(=O)CC(C)N)n1
InChIInChI=1S/C9H16N4O2/c1-6(10)5-8(14)11-4-3-9-12-7(2)13-15-9/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyVMCSHHYJEBQZAV-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds5

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

3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 103810155) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID103810155
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCc1noc(CCNC(=O)CC(C)N)n1
InChIInChI=1S/C9H16N4O2/c1-6(10)5-8(14)11-4-3-9-12-7(2)13-15-9/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyVMCSHHYJEBQZAV-UHFFFAOYSA-N
XLogP-0.23
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106416378
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
3-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106416458
2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
2-amino-5-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 114186098
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416404
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 103810155) is 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is Cc1noc(CCNC(=O)CC(C)N)n1.
What is the InChIKey of 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is VMCSHHYJEBQZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(10)5-8(14)11-4-3-9-12-7(2)13-15-9/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 212.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 103810155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).