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

C13H16N4O2 — CID 56770093

IUPAC1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCCc1noc(-c2ccnc(N3CCC(O)C3)c2)n1
InChIInChI=1S/C13H16N4O2/c1-2-11-15-13(19-16-11)9-3-5-14-12(7-9)17-6-4-10(18)8-17/h3,5,7,10,18H,2,4,6,8H2,1H3
InChIKeyOGEIPXSXSLPWHS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.26
Rot. Bonds3

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

1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 56770093) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID56770093
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCCc1noc(-c2ccnc(N3CCC(O)C3)c2)n1
InChIInChI=1S/C13H16N4O2/c1-2-11-15-13(19-16-11)9-3-5-14-12(7-9)17-6-4-10(18)8-17/h3,5,7,10,18H,2,4,6,8H2,1H3
InChIKeyOGEIPXSXSLPWHS-UHFFFAOYSA-N
XLogP1.26
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 56770093) is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol is CCc1noc(-c2ccnc(N3CCC(O)C3)c2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is OGEIPXSXSLPWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-11-15-13(19-16-11)9-3-5-14-12(7-9)17-6-4-10(18)8-17/h3,5,7,10,18H,2,4,6,8H2,1H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 260.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 56770093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).