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

C24H31N3O4 — CID 163497612

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

(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (PubChem CID 163497612) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
• PubChem CID: 163497612
• Molecular Formula: C24H31N3O4
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.23
• IUPAC Name: (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
• SMILES: Cc1ccc([C@@]2(C)CC([C@@H]3C[C@@H](O)CN3C(=O)[C@@H](c3cc(C)no3)C(C)C)=NO2)cc1
• InChI: InChI=1S/C24H31N3O4/c1-14(2)22(21-10-16(4)25-30-21)23(29)27-13-18(28)11-20(27)19-12-24(5,31-26-19)17-8-6-15(3)7-9-17/h6-10,14,18,20,22,28H,11-13H2,1-5H3/t18-,20+,22-,24-/m1/s1
• InChIKey: MUKYUIWSCSBHOJ-USHXRURQSA-N
• XLogP: 3.68
• TPSA: 88.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (CID 163497612) is (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.

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

The canonical SMILES for (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is Cc1ccc([C@@]2(C)CC([C@@H]3C[C@@H](O)CN3C(=O)[C@@H](c3cc(C)no3)C(C)C)=NO2)cc1.

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

The InChIKey is MUKYUIWSCSBHOJ-USHXRURQSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-14(2)22(21-10-16(4)25-30-21)23(29)27-13-18(28)11-20(27)19-12-24(5,31-26-19)17-8-6-15(3)7-9-17/h6-10,14,18,20,22,28H,11-13H2,1-5H3/t18-,20+,22-,24-/m1/s1.

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

(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one has a molecular weight of 425.53 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is sourced from PubChem (CID 163497612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).