(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C24H29N5O4S — CID 122528933

About (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 122528933) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 122528933
• Molecular Formula: C24H29N5O4S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.19
• IUPAC Name: (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• SMILES: Cc1nnc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)o1
• InChI: InChI=1S/C24H29N5O4S/c1-13(2)20(23-28-27-15(4)33-23)24(32)29-11-18(30)9-19(29)22(31)25-10-16-5-7-17(8-6-16)21-14(3)26-12-34-21/h5-8,12-13,18-20,30H,9-11H2,1-4H3,(H,25,31)/t18-,19+,20-/m1/s1
• InChIKey: NMQOREDOOXJWIK-HSALFYBXSA-N
• XLogP: 2.83
• TPSA: 121.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 122528933) is (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1nnc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)o1.

What is the InChIKey of (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is NMQOREDOOXJWIK-HSALFYBXSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-13(2)20(23-28-27-15(4)33-23)24(32)29-11-18(30)9-19(29)22(31)25-10-16-5-7-17(8-6-16)21-14(3)26-12-34-21/h5-8,12-13,18-20,30H,9-11H2,1-4H3,(H,25,31)/t18-,19+,20-/m1/s1.

What are the key properties of (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122528933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).