1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

C51H59N5O7 — CID 77265203

About 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (PubChem CID 77265203) has the molecular formula C51H59N5O7 and a molecular weight of 854.06 g/mol. Its IUPAC name is 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
• PubChem CID: 77265203
• Molecular Formula: C51H59N5O7
• Molecular Weight: 854.06 g/mol
• Exact Mass: 853.44
• IUPAC Name: 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
• SMILES: CCc1ccccc1C(=O)N1CC(OC(C)(C)C)CC1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)C4CC(OC(C)(C)C)CN4C(=O)c4ccccc4CC)cc3)o2)cc1
• InChI: InChI=1S/C51H59N5O7/c1-9-32-15-11-13-17-40(32)48(59)55-30-38(62-50(3,4)5)27-42(55)45(57)53-36-23-19-34(20-24-36)44-29-52-47(61-44)35-21-25-37(26-22-35)54-46(58)43-28-39(63-51(6,7)8)31-56(43)49(60)41-18-14-12-16-33(41)10-2/h11-26,29,38-39,42-43H,9-10,27-28,30-31H2,1-8H3,(H,53,57)(H,54,58)
• InChIKey: VFEHCJQWWLLBBF-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 143.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.06
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (CID 77265203) is 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is CCc1ccccc1C(=O)N1CC(OC(C)(C)C)CC1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)C4CC(OC(C)(C)C)CN4C(=O)c4ccccc4CC)cc3)o2)cc1.

What is the InChIKey of 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

The InChIKey is VFEHCJQWWLLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H59N5O7/c1-9-32-15-11-13-17-40(32)48(59)55-30-38(62-50(3,4)5)27-42(55)45(57)53-36-23-19-34(20-24-36)44-29-52-47(61-44)35-21-25-37(26-22-35)54-46(58)43-28-39(63-51(6,7)8)31-56(43)49(60)41-18-14-12-16-33(41)10-2/h11-26,29,38-39,42-43H,9-10,27-28,30-31H2,1-8H3,(H,53,57)(H,54,58).

What are the key properties of 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide has a molecular weight of 854.06 g/mol, XLogP of 9.21, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethylbenzoyl)-N-[4-[2-[4-[[1-(2-ethylbenzoyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 77265203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).