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

C9H15N3O3 — CID 106743499

IUPAC3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCOCc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C9H15N3O3/c1-2-14-5-7-11-8(15-12-7)9(13)3-4-10-6-9/h10,13H,2-6H2,1H3
InChIKeyJVUOMRZKHQJTHT-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.21
Rot. Bonds4

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

3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743499) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743499
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCOCc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C9H15N3O3/c1-2-14-5-7-11-8(15-12-7)9(13)3-4-10-6-9/h10,13H,2-6H2,1H3
InChIKeyJVUOMRZKHQJTHT-UHFFFAOYSA-N
XLogP-0.21
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743499) is 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCOCc1noc(C2(O)CCNC2)n1.
What is the InChIKey of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is JVUOMRZKHQJTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-14-5-7-11-8(15-12-7)9(13)3-4-10-6-9/h10,13H,2-6H2,1H3.
What are the key properties of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 213.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).