(3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol

C7H11N3O2 — CID 115277620

IUPAC(3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ncno2)C1
InChIInChI=1S/C7H11N3O2/c11-6-1-2-10(3-6)4-7-8-5-9-12-7/h5-6,11H,1-4H2/t6-/m0/s1
InChIKeyBXMWJUJPAORTMG-LURJTMIESA-N
MW169.18 g/mol
LogP-0.36
Rot. Bonds2

About (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol

(3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 115277620) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
PubChem CID115277620
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ncno2)C1
InChIInChI=1S/C7H11N3O2/c11-6-1-2-10(3-6)4-7-8-5-9-12-7/h5-6,11H,1-4H2/t6-/m0/s1
InChIKeyBXMWJUJPAORTMG-LURJTMIESA-N
XLogP-0.36
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol (CID 115277620) is (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol is O[C@H]1CCN(Cc2ncno2)C1.
What is the InChIKey of (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is BXMWJUJPAORTMG-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3O2/c11-6-1-2-10(3-6)4-7-8-5-9-12-7/h5-6,11H,1-4H2/t6-/m0/s1.
What are the key properties of (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
(3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 169.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 115277620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).