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

C39H39N5O7 — CID 77264898

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

1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 77264898) has the molecular formula C39H39N5O7 and a molecular weight of 689.77 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 77264898
• Molecular Formula: C39H39N5O7
• Molecular Weight: 689.77 g/mol
• Exact Mass: 689.28
• IUPAC Name: 1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
• SMILES: Cc1cc(C(=O)N2CCCC2C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)C5CCCN5C(=O)c5cc(C)oc5C)cc4)o3)cc2)c(C)o1
• InChI: InChI=1S/C39H39N5O7/c1-22-19-30(24(3)49-22)38(47)43-17-5-7-32(43)35(45)41-28-13-9-26(10-14-28)34-21-40-37(51-34)27-11-15-29(16-12-27)42-36(46)33-8-6-18-44(33)39(48)31-20-23(2)50-25(31)4/h9-16,19-21,32-33H,5-8,17-18H2,1-4H3,(H,41,45)(H,42,46)
• InChIKey: PYFCUFWURSJLFX-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 151.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.77
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide (CID 77264898) is 1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide is Cc1cc(C(=O)N2CCCC2C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)C5CCCN5C(=O)c5cc(C)oc5C)cc4)o3)cc2)c(C)o1.

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

The InChIKey is PYFCUFWURSJLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N5O7/c1-22-19-30(24(3)49-22)38(47)43-17-5-7-32(43)35(45)41-28-13-9-26(10-14-28)34-21-40-37(51-34)27-11-15-29(16-12-27)42-36(46)33-8-6-18-44(33)39(48)31-20-23(2)50-25(31)4/h9-16,19-21,32-33H,5-8,17-18H2,1-4H3,(H,41,45)(H,42,46).

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

1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 689.77 g/mol, XLogP of 6.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 77264898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).