(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

C19H25N3O4 — CID 28980455

About (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 28980455) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 28980455
• Molecular Formula: C19H25N3O4
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.18
• IUPAC Name: (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
• SMILES: COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)c1
• InChI: InChI=1S/C19H25N3O4/c1-12(2)17-20-18(26-21-17)16-9-6-10-22(16)19(23)13(3)25-15-8-5-7-14(11-15)24-4/h5,7-8,11-13,16H,6,9-10H2,1-4H3/t13-,16+/m1/s1
• InChIKey: ATYUKJFOIAIGFB-CJNGLKHVSA-N
• XLogP: 3.33
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 28980455) is (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)c1.

What is the InChIKey of (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is ATYUKJFOIAIGFB-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)17-20-18(26-21-17)16-9-6-10-22(16)19(23)13(3)25-15-8-5-7-14(11-15)24-4/h5,7-8,11-13,16H,6,9-10H2,1-4H3/t13-,16+/m1/s1.

What are the key properties of (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?

(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 359.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 28980455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).