(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

C25H29N3O5 — CID 157327584

About (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (PubChem CID 157327584) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
• PubChem CID: 157327584
• Molecular Formula: C25H29N3O5
• Molecular Weight: 451.52 g/mol
• Exact Mass: 451.21
• IUPAC Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
• SMILES: CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)C[C@@H](C)c1ccc(-c2cnco2)cc1)c1cc(C)no1
• InChI: InChI=1S/C25H29N3O5/c1-4-20(23-10-16(3)27-33-23)25(31)28-13-19(29)11-21(28)22(30)9-15(2)17-5-7-18(8-6-17)24-12-26-14-32-24/h5-8,10,12,14-15,19-21,29H,4,9,11,13H2,1-3H3/t15-,19-,20-,21+/m1/s1
• InChIKey: OEDTTYVSPROVCM-DOVSJBTNSA-N
• XLogP: 3.86
• TPSA: 109.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.52
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?

The IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (CID 157327584) is (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.

What is the SMILES notation for (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?

The canonical SMILES for (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)C[C@@H](C)c1ccc(-c2cnco2)cc1)c1cc(C)no1.

What is the InChIKey of (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?

The InChIKey is OEDTTYVSPROVCM-DOVSJBTNSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-4-20(23-10-16(3)27-33-23)25(31)28-13-19(29)11-21(28)22(30)9-15(2)17-5-7-18(8-6-17)24-12-26-14-32-24/h5-8,10,12,14-15,19-21,29H,4,9,11,13H2,1-3H3/t15-,19-,20-,21+/m1/s1.

What are the key properties of (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?

(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one has a molecular weight of 451.52 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is sourced from PubChem (CID 157327584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).