[(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

C26H26N6O4S — CID 67514852

About [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

[(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (PubChem CID 67514852) has the molecular formula C26H26N6O4S and a molecular weight of 518.60 g/mol. Its IUPAC name is [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• PubChem CID: 67514852
• Molecular Formula: C26H26N6O4S
• Molecular Weight: 518.60 g/mol
• Exact Mass: 518.17
• IUPAC Name: [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2ccnc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)c2)n1
• InChI: InChI=1S/C26H26N6O4S/c1-16-15-37-22(28-16)20-9-6-12-32(20)23(33)18-10-11-27-19(13-18)21-30-31-24(36-21)26(2,29-25(34)35)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,20,29H,6,9,12,14H2,1-2H3,(H,34,35)/t20-,26-/m1/s1
• InChIKey: FRXQCCOSEKROEW-FQRUVTKNSA-N
• XLogP: 4.60
• TPSA: 134.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.60
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The IUPAC name of [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (CID 67514852) is [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is Cc1csc([C@H]2CCCN2C(=O)c2ccnc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)c2)n1.

What is the InChIKey of [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The InChIKey is FRXQCCOSEKROEW-FQRUVTKNSA-N. The full InChI is InChI=1S/C26H26N6O4S/c1-16-15-37-22(28-16)20-9-6-12-32(20)23(33)18-10-11-27-19(13-18)21-30-31-24(36-21)26(2,29-25(34)35)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,20,29H,6,9,12,14H2,1-2H3,(H,34,35)/t20-,26-/m1/s1.

What are the key properties of [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

[(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 518.60 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 67514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).