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

C8H13N3O3 — CID 164662264

IUPAC5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1Cc1ncno1
InChIInChI=1S/C8H13N3O3/c12-4-6-1-7(13)2-11(6)3-8-9-5-10-14-8/h5-7,12-13H,1-4H2
InChIKeyMQKIIVMIFQLCFJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.00
Rot. Bonds3

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

5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 164662264) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
PubChem CID164662264
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1Cc1ncno1
InChIInChI=1S/C8H13N3O3/c12-4-6-1-7(13)2-11(6)3-8-9-5-10-14-8/h5-7,12-13H,1-4H2
InChIKeyMQKIIVMIFQLCFJ-UHFFFAOYSA-N
XLogP-1.00
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol (CID 164662264) is 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol is OCC1CC(O)CN1Cc1ncno1.
What is the InChIKey of 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is MQKIIVMIFQLCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c12-4-6-1-7(13)2-11(6)3-8-9-5-10-14-8/h5-7,12-13H,1-4H2.
What are the key properties of 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 199.21 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 164662264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).