1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol

C10H17N3O2 — CID 91227949

IUPAC1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol
SMILESCCCC(c1ncno1)N1CCC(O)C1
InChIInChI=1S/C10H17N3O2/c1-2-3-9(10-11-7-12-15-10)13-5-4-8(14)6-13/h7-9,14H,2-6H2,1H3
InChIKeyIRFZIVDDUAZHTF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.98
Rot. Bonds4

About 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol

1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol (PubChem CID 91227949) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol
PubChem CID91227949
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol
SMILESCCCC(c1ncno1)N1CCC(O)C1
InChIInChI=1S/C10H17N3O2/c1-2-3-9(10-11-7-12-15-10)13-5-4-8(14)6-13/h7-9,14H,2-6H2,1H3
InChIKeyIRFZIVDDUAZHTF-UHFFFAOYSA-N
XLogP0.98
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol (CID 91227949) is 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol is CCCC(c1ncno1)N1CCC(O)C1.
What is the InChIKey of 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol?
The InChIKey is IRFZIVDDUAZHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-9(10-11-7-12-15-10)13-5-4-8(14)6-13/h7-9,14H,2-6H2,1H3.
What are the key properties of 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol?
1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol has a molecular weight of 211.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-oxadiazol-5-yl)butyl]pyrrolidin-3-ol is sourced from PubChem (CID 91227949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).