2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol

C22H27N3O3 — CID 59392484

IUPAC2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
SMILESCCc1cc(-c2nc(-c3cc(C)c(OCCO)c(CC)c3)no2)cnc1CC
InChIInChI=1S/C22H27N3O3/c1-5-15-11-18(13-23-19(15)7-3)22-24-21(25-28-22)17-10-14(4)20(27-9-8-26)16(6-2)12-17/h10-13,26H,5-9H2,1-4H3
InChIKeyWADJULGEOHJADH-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.17
Rot. Bonds8

About 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol

2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol (PubChem CID 59392484) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
PubChem CID59392484
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
SMILESCCc1cc(-c2nc(-c3cc(C)c(OCCO)c(CC)c3)no2)cnc1CC
InChIInChI=1S/C22H27N3O3/c1-5-15-11-18(13-23-19(15)7-3)22-24-21(25-28-22)17-10-14(4)20(27-9-8-26)16(6-2)12-17/h10-13,26H,5-9H2,1-4H3
InChIKeyWADJULGEOHJADH-UHFFFAOYSA-N
XLogP4.17
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol?
The IUPAC name of 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol (CID 59392484) is 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol?
The canonical SMILES for 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol is CCc1cc(-c2nc(-c3cc(C)c(OCCO)c(CC)c3)no2)cnc1CC.
What is the InChIKey of 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol?
The InChIKey is WADJULGEOHJADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-15-11-18(13-23-19(15)7-3)22-24-21(25-28-22)17-10-14(4)20(27-9-8-26)16(6-2)12-17/h10-13,26H,5-9H2,1-4H3.
What are the key properties of 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol?
2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol has a molecular weight of 381.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol is sourced from PubChem (CID 59392484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).