[(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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

C30H35N7O5S — CID 67515430

About [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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-[6-[2-methoxyethyl(methyl)amino]-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 67515430) has the molecular formula C30H35N7O5S and a molecular weight of 605.72 g/mol. Its IUPAC name is [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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-[6-[2-methoxyethyl(methyl)amino]-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: 67515430
• Molecular Formula: C30H35N7O5S
• Molecular Weight: 605.72 g/mol
• Exact Mass: 605.24
• IUPAC Name: [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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: COCCN(C)c1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@](C)(Cc3ccccc3)NC(=O)O)o2)n1
• InChI: InChI=1S/C30H35N7O5S/c1-19-18-43-26(31-19)23-11-8-12-37(23)27(38)21-15-22(32-24(16-21)36(3)13-14-41-4)25-34-35-28(42-25)30(2,33-29(39)40)17-20-9-6-5-7-10-20/h5-7,9-10,15-16,18,23,33H,8,11-14,17H2,1-4H3,(H,39,40)/t23-,30-/m1/s1
• InChIKey: AHOMRTRZELUZAU-WVXBCFDCSA-N
• XLogP: 4.68
• TPSA: 146.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.72
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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-[6-[2-methoxyethyl(methyl)amino]-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 67515430) is [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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-[6-[2-methoxyethyl(methyl)amino]-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-[6-[2-methoxyethyl(methyl)amino]-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 COCCN(C)c1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@](C)(Cc3ccccc3)NC(=O)O)o2)n1.

What is the InChIKey of [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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 AHOMRTRZELUZAU-WVXBCFDCSA-N. The full InChI is InChI=1S/C30H35N7O5S/c1-19-18-43-26(31-19)23-11-8-12-37(23)27(38)21-15-22(32-24(16-21)36(3)13-14-41-4)25-34-35-28(42-25)30(2,33-29(39)40)17-20-9-6-5-7-10-20/h5-7,9-10,15-16,18,23,33H,8,11-14,17H2,1-4H3,(H,39,40)/t23-,30-/m1/s1.

What are the key properties of [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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-[6-[2-methoxyethyl(methyl)amino]-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 605.72 g/mol, XLogP of 4.68, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[6-[2-methoxyethyl(methyl)amino]-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 67515430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).