methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate

C24H24N6O5S — CID 170574579

About methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 170574579) has the molecular formula C24H24N6O5S and a molecular weight of 508.56 g/mol. Its IUPAC name is methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate
• PubChem CID: 170574579
• Molecular Formula: C24H24N6O5S
• Molecular Weight: 508.56 g/mol
• Exact Mass: 508.15
• IUPAC Name: methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate
• SMILES: COC(=O)c1nc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)c2)sc1CNc1ccn(C)n1
• InChI: InChI=1S/C24H24N6O5S/c1-29-10-8-24(33,23(29)32)18-12-16(28-35-18)14-5-4-6-15(11-14)21-26-20(22(31)34-3)17(36-21)13-25-19-7-9-30(2)27-19/h4-7,9,11-12,33H,8,10,13H2,1-3H3,(H,25,27)/t24-/m1/s1
• InChIKey: ADADHSPXWNHIKH-XMMPIXPASA-N
• XLogP: 2.65
• TPSA: 135.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.56
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate?

The IUPAC name of methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 170574579) is methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)c2)sc1CNc1ccn(C)n1.

What is the InChIKey of methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate?

The InChIKey is ADADHSPXWNHIKH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N6O5S/c1-29-10-8-24(33,23(29)32)18-12-16(28-35-18)14-5-4-6-15(11-14)21-26-20(22(31)34-3)17(36-21)13-25-19-7-9-30(2)27-19/h4-7,9,11-12,33H,8,10,13H2,1-3H3,(H,25,27)/t24-/m1/s1.

What are the key properties of methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate?

methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 508.56 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 170574579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).