2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole

C8H13N3O — CID 124673400

IUPAC2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H]2CCNC2)o1
InChIInChI=1S/C8H13N3O/c1-2-7-10-11-8(12-7)6-3-4-9-5-6/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyHSOYEIHWMHWQOD-LURJTMIESA-N
MW167.21 g/mol
LogP0.71
Rot. Bonds2

About 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole

2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 124673400) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID124673400
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H]2CCNC2)o1
InChIInChI=1S/C8H13N3O/c1-2-7-10-11-8(12-7)6-3-4-9-5-6/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyHSOYEIHWMHWQOD-LURJTMIESA-N
XLogP0.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole 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 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 124673400) is 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is CCc1nnc([C@H]2CCNC2)o1.
What is the InChIKey of 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is HSOYEIHWMHWQOD-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7-10-11-8(12-7)6-3-4-9-5-6/h6,9H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 124673400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).