(2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide

C27H30ClN3O5 — CID 146358289

About (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide

(2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 146358289) has the molecular formula C27H30ClN3O5 and a molecular weight of 512.01 g/mol. Its IUPAC name is (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
• PubChem CID: 146358289
• Molecular Formula: C27H30ClN3O5
• Molecular Weight: 512.01 g/mol
• Exact Mass: 511.19
• IUPAC Name: (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
• SMILES: Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](COCc2ccccc2)Cc2ccc(Cl)cc2)on1
• InChI: InChI=1S/C27H30ClN3O5/c1-18-11-24(36-30-18)14-26(33)31-15-23(32)13-25(31)27(34)29-22(12-19-7-9-21(28)10-8-19)17-35-16-20-5-3-2-4-6-20/h2-11,22-23,25,32H,12-17H2,1H3,(H,29,34)/t22-,23-,25+/m1/s1
• InChIKey: AUDKMXUPKQANAK-OYRHQHFDSA-N
• XLogP: 3.09
• TPSA: 104.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.01
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide (CID 146358289) is (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide is Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](COCc2ccccc2)Cc2ccc(Cl)cc2)on1.

What is the InChIKey of (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?

The InChIKey is AUDKMXUPKQANAK-OYRHQHFDSA-N. The full InChI is InChI=1S/C27H30ClN3O5/c1-18-11-24(36-30-18)14-26(33)31-15-23(32)13-25(31)27(34)29-22(12-19-7-9-21(28)10-8-19)17-35-16-20-5-3-2-4-6-20/h2-11,22-23,25,32H,12-17H2,1H3,(H,29,34)/t22-,23-,25+/m1/s1.

What are the key properties of (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?

(2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 512.01 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146358289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).