4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine

C15H19N3O2 — CID 146568100

IUPAC4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
SMILESCC(C)c1ccc(-c2nnc(N3CCOCC3)o2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)12-3-5-13(6-4-12)14-16-17-15(20-14)18-7-9-19-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyYLWGLHOTWBOLBD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.70
Rot. Bonds3

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

4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine (PubChem CID 146568100) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
PubChem CID146568100
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
SMILESCC(C)c1ccc(-c2nnc(N3CCOCC3)o2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)12-3-5-13(6-4-12)14-16-17-15(20-14)18-7-9-19-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyYLWGLHOTWBOLBD-UHFFFAOYSA-N
XLogP2.70
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine (CID 146568100) is 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine is CC(C)c1ccc(-c2nnc(N3CCOCC3)o2)cc1.
What is the InChIKey of 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The InChIKey is YLWGLHOTWBOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)12-3-5-13(6-4-12)14-16-17-15(20-14)18-7-9-19-10-8-18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine is sourced from PubChem (CID 146568100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).