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

C29H29N7O2S — CID 56967129

About [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 56967129) has the molecular formula C29H29N7O2S and a molecular weight of 539.67 g/mol. Its IUPAC name is [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 56967129
• Molecular Formula: C29H29N7O2S
• Molecular Weight: 539.67 g/mol
• Exact Mass: 539.21
• IUPAC Name: [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3ccn[nH]3)cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1
• InChI: InChI=1S/C29H29N7O2S/c1-18-17-39-26(32-18)24-9-6-12-36(24)27(37)22-14-20(23-10-11-31-33-23)13-21(15-22)25-34-35-28(38-25)29(2,30)16-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-15,17,24H,6,9,12,16,30H2,1-2H3,(H,31,33)/t24-,29-/m1/s1
• InChIKey: RVNQNMMNSDYMQS-FUFSCUOVSA-N
• XLogP: 5.29
• TPSA: 126.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.67
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 56967129) is [3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-5-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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3ccn[nH]3)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-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is RVNQNMMNSDYMQS-FUFSCUOVSA-N. The full InChI is InChI=1S/C29H29N7O2S/c1-18-17-39-26(32-18)24-9-6-12-36(24)27(37)22-14-20(23-10-11-31-33-23)13-21(15-22)25-34-35-28(38-25)29(2,30)16-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-15,17,24H,6,9,12,16,30H2,1-2H3,(H,31,33)/t24-,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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 539.67 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-(1H-pyrazol-5-yl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56967129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).