N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide

C39H39N5O6 — CID 25016270

IUPACN-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide
SMILESCN(CCNC(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C39H39N5O6/c1-44(25-30-23-42-38(50-30)39(49,28-8-4-2-5-9-28)29-10-6-3-7-11-29)21-20-41-37(48)27-14-12-26(13-15-27)22-40-24-34(46)31-16-18-33(45)36-32(31)17-19-35(47)43-36/h2-19,23,34,40,45-46,49H,20-22,24-25H2,1H3,(H,41,48)(H,43,47)/t34-/m0/s1
InChIKeyQRZYGFSBJDJBQH-UMSFTDKQSA-N
MW673.77 g/mol
LogP4.19
Rot. Bonds14

About N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide

N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide (PubChem CID 25016270) has the molecular formula C39H39N5O6 and a molecular weight of 673.77 g/mol. Its IUPAC name is N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide
PubChem CID25016270
Molecular FormulaC39H39N5O6
Molecular Weight673.77 g/mol
Exact Mass673.29
IUPAC NameN-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide
SMILESCN(CCNC(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C39H39N5O6/c1-44(25-30-23-42-38(50-30)39(49,28-8-4-2-5-9-28)29-10-6-3-7-11-29)21-20-41-37(48)27-14-12-26(13-15-27)22-40-24-34(46)31-16-18-33(45)36-32(31)17-19-35(47)43-36/h2-19,23,34,40,45-46,49H,20-22,24-25H2,1H3,(H,41,48)(H,43,47)/t34-/m0/s1
InChIKeyQRZYGFSBJDJBQH-UMSFTDKQSA-N
XLogP4.19
TPSA163.95 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.77
LogP ≤ 54.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide (CID 25016270) is N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide is CN(CCNC(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide?
The InChIKey is QRZYGFSBJDJBQH-UMSFTDKQSA-N. The full InChI is InChI=1S/C39H39N5O6/c1-44(25-30-23-42-38(50-30)39(49,28-8-4-2-5-9-28)29-10-6-3-7-11-29)21-20-41-37(48)27-14-12-26(13-15-27)22-40-24-34(46)31-16-18-33(45)36-32(31)17-19-35(47)43-36/h2-19,23,34,40,45-46,49H,20-22,24-25H2,1H3,(H,41,48)(H,43,47)/t34-/m0/s1.
What are the key properties of N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide?
N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide has a molecular weight of 673.77 g/mol, XLogP of 4.19, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 25016270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).