(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine

C6H11N3O — CID 93243184

IUPAC(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCCC[C@@H](N)c1ncon1
InChIInChI=1S/C6H11N3O/c1-2-3-5(7)6-8-4-10-9-6/h4-5H,2-3,7H2,1H3/t5-/m1/s1
InChIKeyMRULVSYBCCMCJK-RXMQYKEDSA-N
MW141.17 g/mol
LogP0.87
Rot. Bonds3

About (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine

(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine (PubChem CID 93243184) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine
PubChem CID93243184
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCCC[C@@H](N)c1ncon1
InChIInChI=1S/C6H11N3O/c1-2-3-5(7)6-8-4-10-9-6/h4-5H,2-3,7H2,1H3/t5-/m1/s1
InChIKeyMRULVSYBCCMCJK-RXMQYKEDSA-N
XLogP0.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104635266
1-(1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096089
1-(4-methylpyrimidin-2-yl)butan-1-amine
CID 63320980
3-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 59539680
(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 60874664
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 66157200
1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine
CID 82414086
5-[(1S)-1-aminobutyl]-1,3-oxazole-4-carboxylic acid
CID 165440729
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine?
The IUPAC name of (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine (CID 93243184) is (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine.
What is the SMILES notation for (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine?
The canonical SMILES for (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine is CCC[C@@H](N)c1ncon1.
What is the InChIKey of (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine?
The InChIKey is MRULVSYBCCMCJK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-5(7)6-8-4-10-9-6/h4-5H,2-3,7H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine?
(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 93243184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).