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

C9H16N4O — CID 116806716

IUPAC2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1nc(N2CCCC2)no1
InChIInChI=1S/C9H16N4O/c1-9(2,10)7-11-8(12-14-7)13-5-3-4-6-13/h3-6,10H2,1-2H3
InChIKeyGTKJYALTQJBLGZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds2

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

2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 116806716) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID116806716
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1nc(N2CCCC2)no1
InChIInChI=1S/C9H16N4O/c1-9(2,10)7-11-8(12-14-7)13-5-3-4-6-13/h3-6,10H2,1-2H3
InChIKeyGTKJYALTQJBLGZ-UHFFFAOYSA-N
XLogP0.86
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806776
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116807658
5-tert-butyl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-1,2,4-oxadiazole
CID 75451947
1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 71272630
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 143714152
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116809007
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 116806716) is 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CC(C)(N)c1nc(N2CCCC2)no1.
What is the InChIKey of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is GTKJYALTQJBLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,10)7-11-8(12-14-7)13-5-3-4-6-13/h3-6,10H2,1-2H3.
What are the key properties of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 116806716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).