[(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

C28H27N9O4S — CID 67514293

About [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(1,2,4-triazol-1-yl)-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]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (PubChem CID 67514293) has the molecular formula C28H27N9O4S and a molecular weight of 585.65 g/mol. Its IUPAC name is [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(1,2,4-triazol-1-yl)-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]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• PubChem CID: 67514293
• Molecular Formula: C28H27N9O4S
• Molecular Weight: 585.65 g/mol
• Exact Mass: 585.19
• IUPAC Name: [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)nc(-n3cncn3)c2)n1
• InChI: InChI=1S/C28H27N9O4S/c1-17-14-42-24(31-17)21-9-6-10-36(21)25(38)19-11-20(32-22(12-19)37-16-29-15-30-37)23-34-35-26(41-23)28(2,33-27(39)40)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,14-16,21,33H,6,9-10,13H2,1-2H3,(H,39,40)/t21-,28-/m1/s1
• InChIKey: RIVIHOVQIFGWTN-LYZGTLIUSA-N
• XLogP: 4.18
• TPSA: 165.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.65
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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]-6-(1,2,4-triazol-1-yl)-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]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (CID 67514293) is [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(1,2,4-triazol-1-yl)-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]-6-(1,2,4-triazol-1-yl)-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]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)nc(-n3cncn3)c2)n1.

What is the InChIKey of [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The InChIKey is RIVIHOVQIFGWTN-LYZGTLIUSA-N. The full InChI is InChI=1S/C28H27N9O4S/c1-17-14-42-24(31-17)21-9-6-10-36(21)25(38)19-11-20(32-22(12-19)37-16-29-15-30-37)23-34-35-26(41-23)28(2,33-27(39)40)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,14-16,21,33H,6,9-10,13H2,1-2H3,(H,39,40)/t21-,28-/m1/s1.

What are the key properties of [(2R)-2-[5-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(1,2,4-triazol-1-yl)-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]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 585.65 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 11 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]-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 67514293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).