(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide

C24H29N5O4S — CID 168901483

About (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 168901483) 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-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide
• PubChem CID: 168901483
• Molecular Formula: C24H29N5O4S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.19
• IUPAC Name: (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide
• SMILES: Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2ccno2)C(C)C)cn1
• InChI: InChI=1S/C24H29N5O4S/c1-13(2)21(20-7-8-27-33-20)24(32)29-11-17(30)9-19(29)23(31)28-14(3)16-5-6-18(25-10-16)22-15(4)26-12-34-22/h5-8,10,12-14,17,19,21,30H,9,11H2,1-4H3,(H,28,31)/t14-,17+,19-,21+/m0/s1
• InChIKey: VTNVUCSKDWQVKY-PJTPKWCPSA-N
• XLogP: 3.08
• 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	3.08
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-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide (CID 168901483) is (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide is Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2ccno2)C(C)C)cn1.

What is the InChIKey of (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide?

The InChIKey is VTNVUCSKDWQVKY-PJTPKWCPSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-13(2)21(20-7-8-27-33-20)24(32)29-11-17(30)9-19(29)23(31)28-14(3)16-5-6-18(25-10-16)22-15(4)26-12-34-22/h5-8,10,12-14,17,19,21,30H,9,11H2,1-4H3,(H,28,31)/t14-,17+,19-,21+/m0/s1.

What are the key properties of (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide?

(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.08, 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-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 168901483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).