4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one

C26H28N6O3S — CID 67514491

About 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one

4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 67514491) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
• PubChem CID: 67514491
• Molecular Formula: C26H28N6O3S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.19
• IUPAC Name: 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)cc(=O)n2C)n1
• InChI: InChI=1S/C26H28N6O3S/c1-16-15-36-23(28-16)19-10-7-11-32(19)24(34)20-12-18(13-21(33)31(20)3)22-29-30-25(35-22)26(2,27)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,19H,7,10-11,14,27H2,1-3H3/t19-,26-/m1/s1
• InChIKey: OGIRHTNMCNMDFW-NIYFSFCBSA-N
• XLogP: 3.59
• TPSA: 120.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?

The IUPAC name of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one (CID 67514491) is 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one.

What is the SMILES notation for 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?

The canonical SMILES for 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)cc(=O)n2C)n1.

What is the InChIKey of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?

The InChIKey is OGIRHTNMCNMDFW-NIYFSFCBSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-16-15-36-23(28-16)19-10-7-11-32(19)24(34)20-12-18(13-21(33)31(20)3)22-29-30-25(35-22)26(2,27)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,19H,7,10-11,14,27H2,1-3H3/t19-,26-/m1/s1.

What are the key properties of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?

4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 504.62 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-1-methyl-6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 67514491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).