(2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one

C18H24N4O3 — CID 129326546

About (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one

(2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 129326546) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
• PubChem CID: 129326546
• Molecular Formula: C18H24N4O3
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.18
• IUPAC Name: (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
• SMILES: Cc1nnc([C@@H]2CN(C(=O)[C@H](Cc3ccccc3)N(C)C)CCO2)o1
• InChI: InChI=1S/C18H24N4O3/c1-13-19-20-17(25-13)16-12-22(9-10-24-16)18(23)15(21(2)3)11-14-7-5-4-6-8-14/h4-8,15-16H,9-12H2,1-3H3/t15-,16-/m0/s1
• InChIKey: LDYOWNMQRCUBBG-HOTGVXAUSA-N
• XLogP: 1.45
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?

The IUPAC name of (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one (CID 129326546) is (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one.

What is the SMILES notation for (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?

The canonical SMILES for (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one is Cc1nnc([C@@H]2CN(C(=O)[C@H](Cc3ccccc3)N(C)C)CCO2)o1.

What is the InChIKey of (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?

The InChIKey is LDYOWNMQRCUBBG-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-19-20-17(25-13)16-12-22(9-10-24-16)18(23)15(21(2)3)11-14-7-5-4-6-8-14/h4-8,15-16H,9-12H2,1-3H3/t15-,16-/m0/s1.

What are the key properties of (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?

(2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 344.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 129326546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).