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

C39H39N5O6 — CID 25016013

IUPAC3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide
SMILESCN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C39H39N5O6/c1-44(25-30-23-41-38(50-30)39(49,27-8-4-2-5-9-27)28-10-6-3-7-11-28)21-20-36(48)42-29-14-12-26(13-15-29)22-40-24-34(46)31-16-18-33(45)37-32(31)17-19-35(47)43-37/h2-19,23,34,40,45-46,49H,20-22,24-25H2,1H3,(H,42,48)(H,43,47)/t34-/m0/s1
InChIKeyDLDHZYRLAZLPFT-UMSFTDKQSA-N
MW673.77 g/mol
LogP4.79
Rot. Bonds14

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

3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide (PubChem CID 25016013) has the molecular formula C39H39N5O6 and a molecular weight of 673.77 g/mol. Its IUPAC name is 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide
PubChem CID25016013
Molecular FormulaC39H39N5O6
Molecular Weight673.77 g/mol
Exact Mass673.29
IUPAC Name3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide
SMILESCN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C39H39N5O6/c1-44(25-30-23-41-38(50-30)39(49,27-8-4-2-5-9-27)28-10-6-3-7-11-28)21-20-36(48)42-29-14-12-26(13-15-29)22-40-24-34(46)31-16-18-33(45)37-32(31)17-19-35(47)43-37/h2-19,23,34,40,45-46,49H,20-22,24-25H2,1H3,(H,42,48)(H,43,47)/t34-/m0/s1
InChIKeyDLDHZYRLAZLPFT-UMSFTDKQSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

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Related Compounds

CID 24811673
CID 24811673
CID 24811674
CID 24811674
CID 24811779
CID 24811779
CID 24811780
CID 24811780
CID 24811885
CID 24811885
CID 24811887
CID 24811887
CID 25016010
CID 25016010
CID 25016011
CID 25016011
CID 25016012
CID 25016012
CID 25016269
CID 25016269
CID 25016270
CID 25016270
CID 25016271
CID 25016271

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide?
The IUPAC name of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide (CID 25016013) is 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide.
What is the SMILES notation for 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide?
The canonical SMILES for 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide is CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide?
The InChIKey is DLDHZYRLAZLPFT-UMSFTDKQSA-N. The full InChI is InChI=1S/C39H39N5O6/c1-44(25-30-23-41-38(50-30)39(49,27-8-4-2-5-9-27)28-10-6-3-7-11-28)21-20-36(48)42-29-14-12-26(13-15-29)22-40-24-34(46)31-16-18-33(45)37-32(31)17-19-35(47)43-37/h2-19,23,34,40,45-46,49H,20-22,24-25H2,1H3,(H,42,48)(H,43,47)/t34-/m0/s1.
What are the key properties of 3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide?
3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]-N-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide has a molecular weight of 673.77 g/mol, XLogP of 4.79, 14 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-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]propanamide is sourced from PubChem (CID 25016013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).