3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C14H25N3O3 — CID 79665247

About 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 79665247) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

• Compound Name: 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
• PubChem CID: 79665247
• Molecular Formula: C14H25N3O3
• Molecular Weight: 283.37 g/mol
• Exact Mass: 283.19
• IUPAC Name: 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
• SMILES: CC(C)C(O)Cc1nc(C2CN(C(C)C)CCO2)no1
• InChI: InChI=1S/C14H25N3O3/c1-9(2)11(18)7-13-15-14(16-20-13)12-8-17(10(3)4)5-6-19-12/h9-12,18H,5-8H2,1-4H3
• InChIKey: XDGKHCHVKBSILY-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 71.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.37
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?

The IUPAC name of 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 79665247) is 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

What is the SMILES notation for 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?

The canonical SMILES for 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(C)C(O)Cc1nc(C2CN(C(C)C)CCO2)no1.

What is the InChIKey of 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?

The InChIKey is XDGKHCHVKBSILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(2)11(18)7-13-15-14(16-20-13)12-8-17(10(3)4)5-6-19-12/h9-12,18H,5-8H2,1-4H3.

What are the key properties of 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?

3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 79665247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).