2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

C23H34N4O5 — CID 42833797

IUPAC2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)Cc2nc(C(=O)NC(C)C)co2)c1
InChIInChI=1S/C23H34N4O5/c1-17(2)24-23(28)20-16-32-22(25-20)15-27(8-7-26-9-11-31-12-10-26)14-18-13-19(29-3)5-6-21(18)30-4/h5-6,13,16-17H,7-12,14-15H2,1-4H3,(H,24,28)
InChIKeyJHUWCWZQOIHNPL-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.16
Rot. Bonds11

About 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 42833797) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID42833797
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC Name2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)Cc2nc(C(=O)NC(C)C)co2)c1
InChIInChI=1S/C23H34N4O5/c1-17(2)24-23(28)20-16-32-22(25-20)15-27(8-7-26-9-11-31-12-10-26)14-18-13-19(29-3)5-6-21(18)30-4/h5-6,13,16-17H,7-12,14-15H2,1-4H3,(H,24,28)
InChIKeyJHUWCWZQOIHNPL-UHFFFAOYSA-N
XLogP2.16
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42833773
2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158014
N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784
2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 42833789
N-[(2R)-butan-2-yl]-2-[[[(2R)-butan-2-yl]-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98627933
ethyl 1-[2-[[(2,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 42833775
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
2-[[(3-chlorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[(1R)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93156924
2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42833458
N-cyclopropyl-2-[[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834807
2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42831475
2-[[(2-methoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 46002526

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 42833797) is 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is COc1ccc(OC)c(CN(CCN2CCOCC2)Cc2nc(C(=O)NC(C)C)co2)c1.
What is the InChIKey of 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is JHUWCWZQOIHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5/c1-17(2)24-23(28)20-16-32-22(25-20)15-27(8-7-26-9-11-31-12-10-26)14-18-13-19(29-3)5-6-21(18)30-4/h5-6,13,16-17H,7-12,14-15H2,1-4H3,(H,24,28).
What are the key properties of 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 2.16, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).