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

C40H41N5O6 — CID 25016271

IUPACN-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C40H41N5O6/c1-45(26-31-24-43-39(51-31)40(50,29-8-4-2-5-9-29)30-10-6-3-7-11-30)23-22-42-38(49)28-14-12-27(13-15-28)20-21-41-25-35(47)32-16-18-34(46)37-33(32)17-19-36(48)44-37/h2-19,24,35,41,46-47,50H,20-23,25-26H2,1H3,(H,42,49)(H,44,48)/t35-/m0/s1
InChIKeyQAZRGGWTFCQXCB-DHUJRADRSA-N
MW687.80 g/mol
LogP4.23
Rot. Bonds15

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

N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide (PubChem CID 25016271) has the molecular formula C40H41N5O6 and a molecular weight of 687.80 g/mol. Its IUPAC name is N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide
PubChem CID25016271
Molecular FormulaC40H41N5O6
Molecular Weight687.80 g/mol
Exact Mass687.31
IUPAC NameN-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C40H41N5O6/c1-45(26-31-24-43-39(51-31)40(50,29-8-4-2-5-9-29)30-10-6-3-7-11-30)23-22-42-38(49)28-14-12-27(13-15-28)20-21-41-25-35(47)32-16-18-34(46)37-33(32)17-19-36(48)44-37/h2-19,24,35,41,46-47,50H,20-23,25-26H2,1H3,(H,42,49)(H,44,48)/t35-/m0/s1
InChIKeyQAZRGGWTFCQXCB-DHUJRADRSA-N
XLogP4.23
TPSA163.95 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.80
LogP ≤ 54.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]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-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide (CID 25016271) is N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide is CN(CCNC(=O)c1ccc(CCNC[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-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide?
The InChIKey is QAZRGGWTFCQXCB-DHUJRADRSA-N. The full InChI is InChI=1S/C40H41N5O6/c1-45(26-31-24-43-39(51-31)40(50,29-8-4-2-5-9-29)30-10-6-3-7-11-30)23-22-42-38(49)28-14-12-27(13-15-28)20-21-41-25-35(47)32-16-18-34(46)37-33(32)17-19-36(48)44-37/h2-19,24,35,41,46-47,50H,20-23,25-26H2,1H3,(H,42,49)(H,44,48)/t35-/m0/s1.
What are the key properties of N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide?
N-[2-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]ethyl]-4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide has a molecular weight of 687.80 g/mol, XLogP of 4.23, 15 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-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 25016271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).