3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide

C37H43N5O6 — CID 25016012

About 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide

3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide (PubChem CID 25016012) has the molecular formula C37H43N5O6 and a molecular weight of 653.78 g/mol. Its IUPAC name is 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide.

Molecular Properties

• Compound Name: 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide
• PubChem CID: 25016012
• Molecular Formula: C37H43N5O6
• Molecular Weight: 653.78 g/mol
• Exact Mass: 653.32
• IUPAC Name: 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide
• SMILES: CN(CCC(=O)NCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
• InChI: InChI=1S/C37H43N5O6/c1-42(25-28-23-40-36(48-28)37(47,26-11-5-2-6-12-26)27-13-7-3-8-14-27)22-19-33(45)39-21-10-4-9-20-38-24-32(44)29-15-17-31(43)35-30(29)16-18-34(46)41-35/h2-3,5-8,11-18,23,32,38,43-44,47H,4,9-10,19-22,24-25H2,1H3,(H,39,45)(H,41,46)/t32-/m0/s1
• InChIKey: AFQDGWPZYJBTAF-YTTGMZPUSA-N
• XLogP: 3.94
• TPSA: 163.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.78
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide?

The IUPAC name of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide (CID 25016012) is 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide.

What is the SMILES notation for 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide?

The canonical SMILES for 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide is CN(CCC(=O)NCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1.

What is the InChIKey of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide?

The InChIKey is AFQDGWPZYJBTAF-YTTGMZPUSA-N. The full InChI is InChI=1S/C37H43N5O6/c1-42(25-28-23-40-36(48-28)37(47,26-11-5-2-6-12-26)27-13-7-3-8-14-27)22-19-33(45)39-21-10-4-9-20-38-24-32(44)29-15-17-31(43)35-30(29)16-18-34(46)41-35/h2-3,5-8,11-18,23,32,38,43-44,47H,4,9-10,19-22,24-25H2,1H3,(H,39,45)(H,41,46)/t32-/m0/s1.

What are the key properties of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide?

3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide has a molecular weight of 653.78 g/mol, XLogP of 3.94, 17 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]propanamide is sourced from PubChem (CID 25016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).