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

C22H32N4O3 — CID 42834782

IUPACN-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(CN(CCN2CCOCC2)Cc2ccccc2C)n1
InChIInChI=1S/C22H32N4O3/c1-4-24(3)22(27)20-17-29-21(23-20)16-26(10-9-25-11-13-28-14-12-25)15-19-8-6-5-7-18(19)2/h5-8,17H,4,9-16H2,1-3H3
InChIKeyWVVOYZCPFWZQSE-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.41
Rot. Bonds9

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

N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42834782) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42834782
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(CN(CCN2CCOCC2)Cc2ccccc2C)n1
InChIInChI=1S/C22H32N4O3/c1-4-24(3)22(27)20-17-29-21(23-20)16-26(10-9-25-11-13-28-14-12-25)15-19-8-6-5-7-18(19)2/h5-8,17H,4,9-16H2,1-3H3
InChIKeyWVVOYZCPFWZQSE-UHFFFAOYSA-N
XLogP2.41
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2,5-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-N-methyl-1,3-oxazole-4-carboxamide
CID 42834757
1-[4-[2-[[(2-chlorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42833486
2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 42833789
N-cyclopropyl-2-[[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834807
2-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833757
2-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753096
N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834825
2-[[(2,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42833773
2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42833458
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42834790
N-[(4-fluorophenyl)methyl]-2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833466

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 42834782) is N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide is CCN(C)C(=O)c1coc(CN(CCN2CCOCC2)Cc2ccccc2C)n1.
What is the InChIKey of N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WVVOYZCPFWZQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-4-24(3)22(27)20-17-29-21(23-20)16-26(10-9-25-11-13-28-14-12-25)15-19-8-6-5-7-18(19)2/h5-8,17H,4,9-16H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).