N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide

C34H36N6O3 — CID 66697447

About N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide

N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide (PubChem CID 66697447) has the molecular formula C34H36N6O3 and a molecular weight of 576.70 g/mol. Its IUPAC name is N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide
• PubChem CID: 66697447
• Molecular Formula: C34H36N6O3
• Molecular Weight: 576.70 g/mol
• Exact Mass: 576.28
• IUPAC Name: N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide
• SMILES: CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1nnc(-c2ccc3[nH]c(-c4ccc(NC(C)=O)cc4)cc3c2)o1)c1ccccc1
• InChI: InChI=1S/C34H36N6O3/c1-4-39(5-2)31(24-10-7-6-8-11-24)34(42)40-19-9-12-30(40)33-38-37-32(43-33)25-15-18-28-26(20-25)21-29(36-28)23-13-16-27(17-14-23)35-22(3)41/h6-8,10-11,13-18,20-21,30-31,36H,4-5,9,12,19H2,1-3H3,(H,35,41)/t30-,31+/m0/s1
• InChIKey: HKKYCBGKXPTMPI-IOWSJCHKSA-N
• XLogP: 6.59
• TPSA: 107.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.70
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide?

The IUPAC name of N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide (CID 66697447) is N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide is CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1nnc(-c2ccc3[nH]c(-c4ccc(NC(C)=O)cc4)cc3c2)o1)c1ccccc1.

What is the InChIKey of N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide?

The InChIKey is HKKYCBGKXPTMPI-IOWSJCHKSA-N. The full InChI is InChI=1S/C34H36N6O3/c1-4-39(5-2)31(24-10-7-6-8-11-24)34(42)40-19-9-12-30(40)33-38-37-32(43-33)25-15-18-28-26(20-25)21-29(36-28)23-13-16-27(17-14-23)35-22(3)41/h6-8,10-11,13-18,20-21,30-31,36H,4-5,9,12,19H2,1-3H3,(H,35,41)/t30-,31+/m0/s1.

What are the key properties of N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide?

N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide has a molecular weight of 576.70 g/mol, XLogP of 6.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[5-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-yl]phenyl]acetamide is sourced from PubChem (CID 66697447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).