(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one

C16H26N4O3S — CID 129327281

About (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one

(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one (PubChem CID 129327281) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
• PubChem CID: 129327281
• Molecular Formula: C16H26N4O3S
• Molecular Weight: 354.48 g/mol
• Exact Mass: 354.17
• IUPAC Name: (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
• SMILES: CC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H](C)N2CCSCC2)o1
• InChI: InChI=1S/C16H26N4O3S/c1-11(2)14-17-18-15(23-14)13-10-22-7-4-20(13)16(21)12(3)19-5-8-24-9-6-19/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1
• InChIKey: RUVRHJBAZJGUPS-CHWSQXEVSA-N
• XLogP: 1.53
• TPSA: 71.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.48
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?

The IUPAC name of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one (CID 129327281) is (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one.

What is the SMILES notation for (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?

The canonical SMILES for (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one is CC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H](C)N2CCSCC2)o1.

What is the InChIKey of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?

The InChIKey is RUVRHJBAZJGUPS-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-11(2)14-17-18-15(23-14)13-10-22-7-4-20(13)16(21)12(3)19-5-8-24-9-6-19/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1.

What are the key properties of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?

(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one has a molecular weight of 354.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 129327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).