3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine

C20H28N4O3 — CID 138673102

IUPAC3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine
SMILESCC(C)(C)c1nc(-c2cc(OCCC3COCCN3)c(C3CC3)cn2)no1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)19-23-18(24-27-19)16-10-17(15(11-22-16)13-4-5-13)26-8-6-14-12-25-9-7-21-14/h10-11,13-14,21H,4-9,12H2,1-3H3
InChIKeyXBVHTBLGNNQYJQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.06
Rot. Bonds6

About 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine

3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine (PubChem CID 138673102) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine
PubChem CID138673102
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine
SMILESCC(C)(C)c1nc(-c2cc(OCCC3COCCN3)c(C3CC3)cn2)no1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)19-23-18(24-27-19)16-10-17(15(11-22-16)13-4-5-13)26-8-6-14-12-25-9-7-21-14/h10-11,13-14,21H,4-9,12H2,1-3H3
InChIKeyXBVHTBLGNNQYJQ-UHFFFAOYSA-N
XLogP3.06
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine 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 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine?
The IUPAC name of 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine (CID 138673102) is 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine.
What is the SMILES notation for 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine?
The canonical SMILES for 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine is CC(C)(C)c1nc(-c2cc(OCCC3COCCN3)c(C3CC3)cn2)no1.
What is the InChIKey of 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine?
The InChIKey is XBVHTBLGNNQYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)19-23-18(24-27-19)16-10-17(15(11-22-16)13-4-5-13)26-8-6-14-12-25-9-7-21-14/h10-11,13-14,21H,4-9,12H2,1-3H3.
What are the key properties of 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine?
3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine has a molecular weight of 372.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine is sourced from PubChem (CID 138673102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).