4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine

C19H26N4O3 — CID 136543155

IUPAC4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCC(C)Oc1cc(-c2noc(C3COCCN3C3CCCC3)n2)ccn1
InChIInChI=1S/C19H26N4O3/c1-13(2)25-17-11-14(7-8-20-17)18-21-19(26-22-18)16-12-24-10-9-23(16)15-5-3-4-6-15/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3
InChIKeyDAFVOBVUBBVHDB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.23
Rot. Bonds5

About 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine

4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 136543155) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID136543155
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCC(C)Oc1cc(-c2noc(C3COCCN3C3CCCC3)n2)ccn1
InChIInChI=1S/C19H26N4O3/c1-13(2)25-17-11-14(7-8-20-17)18-21-19(26-22-18)16-12-24-10-9-23(16)15-5-3-4-6-15/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3
InChIKeyDAFVOBVUBBVHDB-UHFFFAOYSA-N
XLogP3.23
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 136543155) is 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine is CC(C)Oc1cc(-c2noc(C3COCCN3C3CCCC3)n2)ccn1.
What is the InChIKey of 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is DAFVOBVUBBVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)25-17-11-14(7-8-20-17)18-21-19(26-22-18)16-12-24-10-9-23(16)15-5-3-4-6-15/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3.
What are the key properties of 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 358.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 136543155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).