[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine

C10H18N4O — CID 62062546

IUPAC[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCc1nnc(CN2CCC(CN)C2)o1
InChIInChI=1S/C10H18N4O/c1-2-9-12-13-10(15-9)7-14-4-3-8(5-11)6-14/h8H,2-7,11H2,1H3
InChIKeyIBYNOTVVQMVMJF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.41
Rot. Bonds4

About [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine

[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62062546) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62062546
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCc1nnc(CN2CCC(CN)C2)o1
InChIInChI=1S/C10H18N4O/c1-2-9-12-13-10(15-9)7-14-4-3-8(5-11)6-14/h8H,2-7,11H2,1H3
InChIKeyIBYNOTVVQMVMJF-UHFFFAOYSA-N
XLogP0.41
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 62062546) is [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine is CCc1nnc(CN2CCC(CN)C2)o1.
What is the InChIKey of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is IBYNOTVVQMVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-9-12-13-10(15-9)7-14-4-3-8(5-11)6-14/h8H,2-7,11H2,1H3.
What are the key properties of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62062546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).