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

C23H34N4O3 — CID 42833458

IUPAC2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCC(C)C)co2)cc1
InChIInChI=1S/C23H34N4O3/c1-18(2)14-24-23(28)21-17-30-22(25-21)16-27(9-8-26-10-12-29-13-11-26)15-20-6-4-19(3)5-7-20/h4-7,17-18H,8-16H2,1-3H3,(H,24,28)
InChIKeyFXWGPAMVEOLWSL-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.70
Rot. Bonds10

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

2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 42833458) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID42833458
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCC(C)C)co2)cc1
InChIInChI=1S/C23H34N4O3/c1-18(2)14-24-23(28)21-17-30-22(25-21)16-27(9-8-26-10-12-29-13-11-26)15-20-6-4-19(3)5-7-20/h4-7,17-18H,8-16H2,1-3H3,(H,24,28)
InChIKeyFXWGPAMVEOLWSL-UHFFFAOYSA-N
XLogP2.70
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833466
2-[[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 46000278
2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42834790
N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784
N-cyclopropyl-2-[[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834807
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-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-N-methyl-1,3-oxazole-4-carboxamide
CID 42834757
2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42833797
2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158014
2-[[benzyl-[(3-chlorophenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833079
2-[[(2,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42833773
2-[[(3-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834765

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 42833458) is 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is Cc1ccc(CN(CCN2CCOCC2)Cc2nc(C(=O)NCC(C)C)co2)cc1.
What is the InChIKey of 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FXWGPAMVEOLWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-18(2)14-24-23(28)21-17-30-22(25-21)16-27(9-8-26-10-12-29-13-11-26)15-20-6-4-19(3)5-7-20/h4-7,17-18H,8-16H2,1-3H3,(H,24,28).
What are the key properties of 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).