2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C26H33N5O3 — CID 42834790

IUPAC2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCCc3ccccn3)co2)c1
InChIInChI=1S/C26H33N5O3/c1-21-5-4-6-22(17-21)18-31(12-11-30-13-15-33-16-14-30)19-25-29-24(20-34-25)26(32)28-10-8-23-7-2-3-9-27-23/h2-7,9,17,20H,8,10-16,18-19H2,1H3,(H,28,32)
InChIKeyCWAIBQXEKZKPSZ-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.68
Rot. Bonds11

About 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42834790) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42834790
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCCc3ccccn3)co2)c1
InChIInChI=1S/C26H33N5O3/c1-21-5-4-6-22(17-21)18-31(12-11-30-13-15-33-16-14-30)19-25-29-24(20-34-25)26(32)28-10-8-23-7-2-3-9-27-23/h2-7,9,17,20H,8,10-16,18-19H2,1H3,(H,28,32)
InChIKeyCWAIBQXEKZKPSZ-UHFFFAOYSA-N
XLogP2.68
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784
2-[[benzyl-[(3-chlorophenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833079
2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42833458
2-[[(3-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834765
N-[(4-fluorophenyl)methyl]-2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833466
2-[[(3-chlorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[(1R)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93156924
2-[[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 46000278
2-[[(2,5-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-N-methyl-1,3-oxazole-4-carboxamide
CID 42834757
N-cyclopropyl-2-[[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834807
2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 42829420
2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158014
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850919

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 42834790) is 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is Cc1cccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCCc3ccccn3)co2)c1.
What is the InChIKey of 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CWAIBQXEKZKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-21-5-4-6-22(17-21)18-31(12-11-30-13-15-33-16-14-30)19-25-29-24(20-34-25)26(32)28-10-8-23-7-2-3-9-27-23/h2-7,9,17,20H,8,10-16,18-19H2,1H3,(H,28,32).
What are the key properties of 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.68, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).