(2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide

C34H40N8O2 — CID 126599560

About (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide

(2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide (PubChem CID 126599560) has the molecular formula C34H40N8O2 and a molecular weight of 592.75 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide
• PubChem CID: 126599560
• Molecular Formula: C34H40N8O2
• Molecular Weight: 592.75 g/mol
• Exact Mass: 592.33
• IUPAC Name: (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide
• SMILES: CCCN(Cc1ncc(-c2ncc(-c3cccc(-c4cnc([C@@H]5CCCN5C)[nH]4)c3)o2)[nH]1)C(=O)[C@@H](c1ccccc1)N(C)C
• InChI: InChI=1S/C34H40N8O2/c1-5-16-42(34(43)31(40(2)3)23-11-7-6-8-12-23)22-30-35-20-27(38-30)33-37-21-29(44-33)25-14-9-13-24(18-25)26-19-36-32(39-26)28-15-10-17-41(28)4/h6-9,11-14,18-21,28,31H,5,10,15-17,22H2,1-4H3,(H,35,38)(H,36,39)/t28-,31+/m0/s1
• InChIKey: QSUJPECZCAMMEA-QCENPCRXSA-N
• XLogP: 5.93
• TPSA: 110.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.75
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide?

The IUPAC name of (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide (CID 126599560) is (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide.

What is the SMILES notation for (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide?

The canonical SMILES for (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide is CCCN(Cc1ncc(-c2ncc(-c3cccc(-c4cnc([C@@H]5CCCN5C)[nH]4)c3)o2)[nH]1)C(=O)[C@@H](c1ccccc1)N(C)C.

What is the InChIKey of (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide?

The InChIKey is QSUJPECZCAMMEA-QCENPCRXSA-N. The full InChI is InChI=1S/C34H40N8O2/c1-5-16-42(34(43)31(40(2)3)23-11-7-6-8-12-23)22-30-35-20-27(38-30)33-37-21-29(44-33)25-14-9-13-24(18-25)26-19-36-32(39-26)28-15-10-17-41(28)4/h6-9,11-14,18-21,28,31H,5,10,15-17,22H2,1-4H3,(H,35,38)(H,36,39)/t28-,31+/m0/s1.

What are the key properties of (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide?

(2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide has a molecular weight of 592.75 g/mol, XLogP of 5.93, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 126599560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).