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

C9H16N4O — CID 115079719

IUPAC3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)N1CCCC1c1noc(N)n1
InChIInChI=1S/C9H16N4O/c1-6(2)13-5-3-4-7(13)8-11-9(10)14-12-8/h6-7H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyUPADSQXNNJKQTH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.20
Rot. Bonds2

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

3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 115079719) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID115079719
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)N1CCCC1c1noc(N)n1
InChIInChI=1S/C9H16N4O/c1-6(2)13-5-3-4-7(13)8-11-9(10)14-12-8/h6-7H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyUPADSQXNNJKQTH-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081403
N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081618
3-(1-propan-2-ylpyrrolidin-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115080930
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081799
1-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080498
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082822
3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
CID 67986572
3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 115079652
5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 71100553
N-methyl-3-[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077926

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine (CID 115079719) is 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine is CC(C)N1CCCC1c1noc(N)n1.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is UPADSQXNNJKQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)13-5-3-4-7(13)8-11-9(10)14-12-8/h6-7H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine?
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 196.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115079719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).