N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide

C17H22N4O3 — CID 56758608

IUPACN-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C17H22N4O3/c1-20(7-4-14-2-5-18-6-3-14)17(22)16-12-15(24-19-16)13-21-8-10-23-11-9-21/h2-3,5-6,12H,4,7-11,13H2,1H3
InChIKeyGGQNKHLDMCZEJE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.22
Rot. Bonds6

About N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide

N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56758608) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID56758608
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C17H22N4O3/c1-20(7-4-14-2-5-18-6-3-14)17(22)16-12-15(24-19-16)13-21-8-10-23-11-9-21/h2-3,5-6,12H,4,7-11,13H2,1H3
InChIKeyGGQNKHLDMCZEJE-UHFFFAOYSA-N
XLogP1.22
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56741639
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
N-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95216881
N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 95216265
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56706921
N-[2-(4-ethoxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950937
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113160629
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 56752673
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395
5-(morpholin-4-ylmethyl)-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95188555
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 56758608) is N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide is CN(CCc1ccncc1)C(=O)c1cc(CN2CCOCC2)on1.
What is the InChIKey of N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GGQNKHLDMCZEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20(7-4-14-2-5-18-6-3-14)17(22)16-12-15(24-19-16)13-21-8-10-23-11-9-21/h2-3,5-6,12H,4,7-11,13H2,1H3.
What are the key properties of N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56758608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).