[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C8H12N4O3 — CID 25219213

IUPAC[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCc1noc(C(=O)N2CC[C@H](O)C2)n1
InChIInChI=1S/C8H12N4O3/c9-3-6-10-7(15-11-6)8(14)12-2-1-5(13)4-12/h5,13H,1-4,9H2/t5-/m0/s1
InChIKeyWYRDQLSPXCATMA-YFKPBYRVSA-N
MW212.21 g/mol
LogP-1.26
Rot. Bonds2

About [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 25219213) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID25219213
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCc1noc(C(=O)N2CC[C@H](O)C2)n1
InChIInChI=1S/C8H12N4O3/c9-3-6-10-7(15-11-6)8(14)12-2-1-5(13)4-12/h5,13H,1-4,9H2/t5-/m0/s1
InChIKeyWYRDQLSPXCATMA-YFKPBYRVSA-N
XLogP-1.26
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 25219213) is [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is NCc1noc(C(=O)N2CC[C@H](O)C2)n1.
What is the InChIKey of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WYRDQLSPXCATMA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-3-6-10-7(15-11-6)8(14)12-2-1-5(13)4-12/h5,13H,1-4,9H2/t5-/m0/s1.
What are the key properties of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 212.21 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 25219213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).