(2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol

C25H33N3O4 — CID 24851992

IUPAC(2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
SMILESCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CO)c(CC)c3)no2)cnc1CC(C)C
InChIInChI=1S/C25H33N3O4/c1-6-17-10-20(12-26-22(17)8-15(3)4)25-27-24(28-32-25)19-9-16(5)23(18(7-2)11-19)31-14-21(30)13-29/h9-12,15,21,29-30H,6-8,13-14H2,1-5H3/t21-/m0/s1
InChIKeyMFDFFWUZGMXSCX-NRFANRHFSA-N
MW439.56 g/mol
LogP4.16
Rot. Bonds10

About (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol

(2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol (PubChem CID 24851992) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
PubChem CID24851992
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name(2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
SMILESCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CO)c(CC)c3)no2)cnc1CC(C)C
InChIInChI=1S/C25H33N3O4/c1-6-17-10-20(12-26-22(17)8-15(3)4)25-27-24(28-32-25)19-9-16(5)23(18(7-2)11-19)31-14-21(30)13-29/h9-12,15,21,29-30H,6-8,13-14H2,1-5H3/t21-/m0/s1
InChIKeyMFDFFWUZGMXSCX-NRFANRHFSA-N
XLogP4.16
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol?
The IUPAC name of (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol (CID 24851992) is (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol?
The canonical SMILES for (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol is CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CO)c(CC)c3)no2)cnc1CC(C)C.
What is the InChIKey of (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol?
The InChIKey is MFDFFWUZGMXSCX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-6-17-10-20(12-26-22(17)8-15(3)4)25-27-24(28-32-25)19-9-16(5)23(18(7-2)11-19)31-14-21(30)13-29/h9-12,15,21,29-30H,6-8,13-14H2,1-5H3/t21-/m0/s1.
What are the key properties of (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol?
(2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol has a molecular weight of 439.56 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol is sourced from PubChem (CID 24851992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).