2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C11H20N4O — CID 116806750

IUPAC2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(CN)CCc1nc(N2CCCC2)no1
InChIInChI=1S/C11H20N4O/c1-9(8-12)4-5-10-13-11(14-16-10)15-6-2-3-7-15/h9H,2-8,12H2,1H3
InChIKeyKDLDQNZQTFJMPH-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.20
Rot. Bonds5

About 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 116806750) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID116806750
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(CN)CCc1nc(N2CCCC2)no1
InChIInChI=1S/C11H20N4O/c1-9(8-12)4-5-10-13-11(14-16-10)15-6-2-3-7-15/h9H,2-8,12H2,1H3
InChIKeyKDLDQNZQTFJMPH-UHFFFAOYSA-N
XLogP1.20
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
N-propyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809121
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
2-methoxy-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 103157980
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
3-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527591
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116808837
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 116806750) is 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CC(CN)CCc1nc(N2CCCC2)no1.
What is the InChIKey of 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is KDLDQNZQTFJMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(8-12)4-5-10-13-11(14-16-10)15-6-2-3-7-15/h9H,2-8,12H2,1H3.
What are the key properties of 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 116806750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).