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

C9H16N4O — CID 82399506

IUPAC3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNCCCc1nc(C2CCNC2)no1
InChIInChI=1S/C9H16N4O/c10-4-1-2-8-12-9(13-14-8)7-3-5-11-6-7/h7,11H,1-6,10H2
InChIKeyLEKOGSMGTMQPIF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.04
Rot. Bonds4

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

3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 82399506) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID82399506
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNCCCc1nc(C2CCNC2)no1
InChIInChI=1S/C9H16N4O/c10-4-1-2-8-12-9(13-14-8)7-3-5-11-6-7/h7,11H,1-6,10H2
InChIKeyLEKOGSMGTMQPIF-UHFFFAOYSA-N
XLogP0.04
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115079579
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081555
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115997582

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 82399506) is 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is NCCCc1nc(C2CCNC2)no1.
What is the InChIKey of 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is LEKOGSMGTMQPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-4-1-2-8-12-9(13-14-8)7-3-5-11-6-7/h7,11H,1-6,10H2.
What are the key properties of 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 196.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 82399506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).