5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole

C10H15N3O — CID 23047489

IUPAC5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole
SMILESCCc1nc(C2=CCN(C)CC2)no1
InChIInChI=1S/C10H15N3O/c1-3-9-11-10(12-14-9)8-4-6-13(2)7-5-8/h4H,3,5-7H2,1-2H3
InChIKeyLKWQAWQFFILWNB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds2

About 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole

5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 23047489) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID23047489
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole
SMILESCCc1nc(C2=CCN(C)CC2)no1
InChIInChI=1S/C10H15N3O/c1-3-9-11-10(12-14-9)8-4-6-13(2)7-5-8/h4H,3,5-7H2,1-2H3
InChIKeyLKWQAWQFFILWNB-UHFFFAOYSA-N
XLogP1.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole (CID 23047489) is 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole is CCc1nc(C2=CCN(C)CC2)no1.
What is the InChIKey of 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is LKWQAWQFFILWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-9-11-10(12-14-9)8-4-6-13(2)7-5-8/h4H,3,5-7H2,1-2H3.
What are the key properties of 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole?
5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 193.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 23047489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).