3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C12H19N3O3 — CID 106743666

IUPAC3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCOC(c1noc(C2(O)CCNC2)n1)C1CC1
InChIInChI=1S/C12H19N3O3/c1-2-17-9(8-3-4-8)10-14-11(18-15-10)12(16)5-6-13-7-12/h8-9,13,16H,2-7H2,1H3
InChIKeyWRVWSXZSGXTKKX-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.74
Rot. Bonds5

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

3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743666) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743666
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCOC(c1noc(C2(O)CCNC2)n1)C1CC1
InChIInChI=1S/C12H19N3O3/c1-2-17-9(8-3-4-8)10-14-11(18-15-10)12(16)5-6-13-7-12/h8-9,13,16H,2-7H2,1H3
InChIKeyWRVWSXZSGXTKKX-UHFFFAOYSA-N
XLogP0.74
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743666) is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCOC(c1noc(C2(O)CCNC2)n1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is WRVWSXZSGXTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-17-9(8-3-4-8)10-14-11(18-15-10)12(16)5-6-13-7-12/h8-9,13,16H,2-7H2,1H3.
What are the key properties of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 253.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).