1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine

C11H18N4O — CID 116806939

IUPAC1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(N3CCCC3)no2)CCC1
InChIInChI=1S/C11H18N4O/c12-11(4-3-5-11)8-9-13-10(14-16-9)15-6-1-2-7-15/h1-8,12H2
InChIKeyUQLIHADNHOPJPU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds3

About 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine

1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 116806939) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID116806939
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(N3CCCC3)no2)CCC1
InChIInChI=1S/C11H18N4O/c12-11(4-3-5-11)8-9-13-10(14-16-9)15-6-1-2-7-15/h1-8,12H2
InChIKeyUQLIHADNHOPJPU-UHFFFAOYSA-N
XLogP1.09
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 116806808
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106527584
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
1,1,1-trifluoro-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 116808754
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116806750
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631985

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine (CID 116806939) is 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine is NC1(Cc2nc(N3CCCC3)no2)CCC1.
What is the InChIKey of 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is UQLIHADNHOPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-11(4-3-5-11)8-9-13-10(14-16-9)15-6-1-2-7-15/h1-8,12H2.
What are the key properties of 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 222.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116806939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).