5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one

C29H29N7O4S — CID 67515698

About 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one

5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 67515698) has the molecular formula C29H29N7O4S and a molecular weight of 571.66 g/mol. Its IUPAC name is 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one
• PubChem CID: 67515698
• Molecular Formula: C29H29N7O4S
• Molecular Weight: 571.66 g/mol
• Exact Mass: 571.20
• IUPAC Name: 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(N)Cc4ccccc4)o3)cc(-c3nn(C)c(=O)o3)c2)n1
• InChI: InChI=1S/C29H29N7O4S/c1-17-16-41-25(31-17)22-10-7-11-36(22)26(37)21-13-19(12-20(14-21)24-34-35(3)28(38)40-24)23-32-33-27(39-23)29(2,30)15-18-8-5-4-6-9-18/h4-6,8-9,12-14,16,22H,7,10-11,15,30H2,1-3H3/t22-,29+/m1/s1
• InChIKey: FGNROOBKWFKOMA-MNNSJKJDSA-N
• XLogP: 4.25
• TPSA: 146.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.66
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one (CID 67515698) is 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one.

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

The canonical SMILES for 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(N)Cc4ccccc4)o3)cc(-c3nn(C)c(=O)o3)c2)n1.

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

The InChIKey is FGNROOBKWFKOMA-MNNSJKJDSA-N. The full InChI is InChI=1S/C29H29N7O4S/c1-17-16-41-25(31-17)22-10-7-11-36(22)26(37)21-13-19(12-20(14-21)24-34-35(3)28(38)40-24)23-32-33-27(39-23)29(2,30)15-18-8-5-4-6-9-18/h4-6,8-9,12-14,16,22H,7,10-11,15,30H2,1-3H3/t22-,29+/m1/s1.

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

5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 571.66 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 67515698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).