5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C11H14N4O2 — CID 136710833

IUPAC5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCCNC(C)c1nnc(-c2ccc(=O)[nH]c2)o1
InChIInChI=1S/C11H14N4O2/c1-3-12-7(2)10-14-15-11(17-10)8-4-5-9(16)13-6-8/h4-7,12H,3H2,1-2H3,(H,13,16)
InChIKeyUQVSNETXKQQVMM-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.10
Rot. Bonds4

About 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 136710833) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID136710833
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCCNC(C)c1nnc(-c2ccc(=O)[nH]c2)o1
InChIInChI=1S/C11H14N4O2/c1-3-12-7(2)10-14-15-11(17-10)8-4-5-9(16)13-6-8/h4-7,12H,3H2,1-2H3,(H,13,16)
InChIKeyUQVSNETXKQQVMM-UHFFFAOYSA-N
XLogP1.10
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 136710833) is 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CCNC(C)c1nnc(-c2ccc(=O)[nH]c2)o1.
What is the InChIKey of 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is UQVSNETXKQQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-12-7(2)10-14-15-11(17-10)8-4-5-9(16)13-6-8/h4-7,12H,3H2,1-2H3,(H,13,16).
What are the key properties of 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136710833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).