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

C9H16N4O — CID 65415962

IUPAC5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCCC1(c2nc(N)no2)CCNC1
InChIInChI=1S/C9H16N4O/c1-2-3-9(4-5-11-6-9)7-12-8(10)13-14-7/h11H,2-6H2,1H3,(H2,10,13)
InChIKeyDRRXZULRWAYWAE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.68
Rot. Bonds3

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

5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 65415962) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
PubChem CID65415962
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCCC1(c2nc(N)no2)CCNC1
InChIInChI=1S/C9H16N4O/c1-2-3-9(4-5-11-6-9)7-12-8(10)13-14-7/h11H,2-6H2,1H3,(H2,10,13)
InChIKeyDRRXZULRWAYWAE-UHFFFAOYSA-N
XLogP0.68
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116702435
3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65393679
3-(butan-2-ylsulfanylmethyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65137263
3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
5-(3-propylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472505
3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144833
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145200

Frequently Asked Questions

What is the IUPAC name of 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine (CID 65415962) is 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine is CCCC1(c2nc(N)no2)CCNC1.
What is the InChIKey of 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is DRRXZULRWAYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-9(4-5-11-6-9)7-12-8(10)13-14-7/h11H,2-6H2,1H3,(H2,10,13).
What are the key properties of 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine?
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65415962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).