[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C29H29N7O3S — CID 56967866

About [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 56967866) has the molecular formula C29H29N7O3S and a molecular weight of 555.66 g/mol. Its IUPAC name is [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 56967866
• Molecular Formula: C29H29N7O3S
• Molecular Weight: 555.66 g/mol
• Exact Mass: 555.21
• IUPAC Name: [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc(C)o3)cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1
• InChI: InChI=1S/C29H29N7O3S/c1-17-16-40-26(31-17)23-10-7-11-36(23)27(37)22-13-20(24-33-32-18(2)38-24)12-21(14-22)25-34-35-28(39-25)29(3,30)15-19-8-5-4-6-9-19/h4-6,8-9,12-14,16,23H,7,10-11,15,30H2,1-3H3/t23-,29-/m1/s1
• InChIKey: JUAHAQNKTIFSFQ-RNWIMVQKSA-N
• XLogP: 5.25
• TPSA: 137.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.66
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 56967866) is [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc(C)o3)cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1.

What is the InChIKey of [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is JUAHAQNKTIFSFQ-RNWIMVQKSA-N. The full InChI is InChI=1S/C29H29N7O3S/c1-17-16-40-26(31-17)23-10-7-11-36(23)27(37)22-13-20(24-33-32-18(2)38-24)12-21(14-22)25-34-35-28(39-25)29(3,30)15-19-8-5-4-6-9-19/h4-6,8-9,12-14,16,23H,7,10-11,15,30H2,1-3H3/t23-,29-/m1/s1.

What are the key properties of [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 555.66 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56967866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).