5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide

C20H28N4O3 — CID 95223807

IUPAC5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(CN(C)Cc2ccccc2)on1)N1CCOCC1
InChIInChI=1S/C20H28N4O3/c1-16(24-8-10-26-11-9-24)13-21-20(25)19-12-18(27-22-19)15-23(2)14-17-6-4-3-5-7-17/h3-7,12,16H,8-11,13-15H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyHXPPXYXTEPYSIG-INIZCTEOSA-N
MW372.47 g/mol
LogP1.76
Rot. Bonds8

About 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide

5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 95223807) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
PubChem CID95223807
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(CN(C)Cc2ccccc2)on1)N1CCOCC1
InChIInChI=1S/C20H28N4O3/c1-16(24-8-10-26-11-9-24)13-21-20(25)19-12-18(27-22-19)15-23(2)14-17-6-4-3-5-7-17/h3-7,12,16H,8-11,13-15H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyHXPPXYXTEPYSIG-INIZCTEOSA-N
XLogP1.76
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 42122193
1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 78892497
5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25493204
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56747995
5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
CID 56745106
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676
5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23798416
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide (CID 95223807) is 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide is C[C@@H](CNC(=O)c1cc(CN(C)Cc2ccccc2)on1)N1CCOCC1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HXPPXYXTEPYSIG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-16(24-8-10-26-11-9-24)13-21-20(25)19-12-18(27-22-19)15-23(2)14-17-6-4-3-5-7-17/h3-7,12,16H,8-11,13-15H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95223807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).