3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C10H17N3O — CID 80539976

IUPAC3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(CCN)c1nc(C2CC2C)no1
InChIInChI=1S/C10H17N3O/c1-6(3-4-11)10-12-9(13-14-10)8-5-7(8)2/h6-8H,3-5,11H2,1-2H3
InChIKeyCXAYTJQGPLMVPJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.65
Rot. Bonds4

About 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 80539976) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID80539976
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(CCN)c1nc(C2CC2C)no1
InChIInChI=1S/C10H17N3O/c1-6(3-4-11)10-12-9(13-14-10)8-5-7(8)2/h6-8H,3-5,11H2,1-2H3
InChIKeyCXAYTJQGPLMVPJ-UHFFFAOYSA-N
XLogP1.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540138
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540143
(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145004
5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808252
3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539926
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540079
3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837020
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65422093
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539896
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539945
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 80539976) is 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CC(CCN)c1nc(C2CC2C)no1.
What is the InChIKey of 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is CXAYTJQGPLMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(3-4-11)10-12-9(13-14-10)8-5-7(8)2/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 80539976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).