3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol

C13H24N4O2 — CID 106960724

IUPAC3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNC(C)c1nnc(N2CCCC2CCCO)o1
InChIInChI=1S/C13H24N4O2/c1-3-14-10(2)12-15-16-13(19-12)17-8-4-6-11(17)7-5-9-18/h10-11,14,18H,3-9H2,1-2H3
InChIKeyXNUFKPWQNRGTDH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.48
Rot. Bonds7

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

3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 106960724) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID106960724
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNC(C)c1nnc(N2CCCC2CCCO)o1
InChIInChI=1S/C13H24N4O2/c1-3-14-10(2)12-15-16-13(19-12)17-8-4-6-11(17)7-5-9-18/h10-11,14,18H,3-9H2,1-2H3
InChIKeyXNUFKPWQNRGTDH-UHFFFAOYSA-N
XLogP1.48
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol (CID 106960724) is 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol is CCNC(C)c1nnc(N2CCCC2CCCO)o1.
What is the InChIKey of 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is XNUFKPWQNRGTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-14-10(2)12-15-16-13(19-12)17-8-4-6-11(17)7-5-9-18/h10-11,14,18H,3-9H2,1-2H3.
What are the key properties of 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 106960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).