propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate

C24H28N6O5S — CID 168974714

About propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate

propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 168974714) has the molecular formula C24H28N6O5S and a molecular weight of 512.59 g/mol. Its IUPAC name is propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate
• PubChem CID: 168974714
• Molecular Formula: C24H28N6O5S
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.18
• IUPAC Name: propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate
• SMILES: CCCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H](NC(=O)c3cccc(-c4noc(C)n4)c3)CN2C)nc1C
• InChI: InChI=1S/C24H28N6O5S/c1-5-9-34-23(33)19-13(2)25-24(36-19)28-22(32)18-11-17(12-30(18)4)27-21(31)16-8-6-7-15(10-16)20-26-14(3)35-29-20/h6-8,10,17-18H,5,9,11-12H2,1-4H3,(H,27,31)(H,25,28,32)/t17-,18-/m1/s1
• InChIKey: MTBMJYGQZWVIFV-QZTJIDSGSA-N
• XLogP: 2.82
• TPSA: 139.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?

The IUPAC name of propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 168974714) is propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate.

What is the SMILES notation for propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?

The canonical SMILES for propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate is CCCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H](NC(=O)c3cccc(-c4noc(C)n4)c3)CN2C)nc1C.

What is the InChIKey of propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?

The InChIKey is MTBMJYGQZWVIFV-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H28N6O5S/c1-5-9-34-23(33)19-13(2)25-24(36-19)28-22(32)18-11-17(12-30(18)4)27-21(31)16-8-6-7-15(10-16)20-26-14(3)35-29-20/h6-8,10,17-18H,5,9,11-12H2,1-4H3,(H,27,31)(H,25,28,32)/t17-,18-/m1/s1.

What are the key properties of propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate?

propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 512.59 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propyl 4-methyl-2-[[(2R,4R)-1-methyl-4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]pyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 168974714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).