2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide

C9H16N4O2 — CID 97179672

IUPAC2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1noc(CCN)n1
InChIInChI=1S/C9H16N4O2/c1-6(2)11-8(14)5-7-12-9(3-4-10)15-13-7/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeySQEVJPSBHAHEPI-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.36
Rot. Bonds5

About 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide

2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide (PubChem CID 97179672) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide
PubChem CID97179672
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1noc(CCN)n1
InChIInChI=1S/C9H16N4O2/c1-6(2)11-8(14)5-7-12-9(3-4-10)15-13-7/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeySQEVJPSBHAHEPI-UHFFFAOYSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
CID 110677310
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 164640938
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 94265172
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
N-cyclopentyl-2-[5-(2-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 86801808
N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99716263
2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120841840
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119588243

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide (CID 97179672) is 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1noc(CCN)n1.
What is the InChIKey of 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is SQEVJPSBHAHEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)11-8(14)5-7-12-9(3-4-10)15-13-7/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide?
2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 212.25 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 97179672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).