1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol

C22H25N5O4 — CID 142479802

IUPAC1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cc(C#Cc2ccc(OCCN3CCOCC3)nc2)on1
InChIInChI=1S/C22H25N5O4/c1-17(28)22-23-6-7-27(22)16-19-14-20(31-25-19)4-2-18-3-5-21(24-15-18)30-13-10-26-8-11-29-12-9-26/h3,5-7,14-15,17,28H,8-13,16H2,1H3
InChIKeyYDZYUENFYKADRI-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.48
Rot. Bonds7

About 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol

1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol (PubChem CID 142479802) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
PubChem CID142479802
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cc(C#Cc2ccc(OCCN3CCOCC3)nc2)on1
InChIInChI=1S/C22H25N5O4/c1-17(28)22-23-6-7-27(22)16-19-14-20(31-25-19)4-2-18-3-5-21(24-15-18)30-13-10-26-8-11-29-12-9-26/h3,5-7,14-15,17,28H,8-13,16H2,1H3
InChIKeyYDZYUENFYKADRI-UHFFFAOYSA-N
XLogP1.48
TPSA98.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol 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

1-[4-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]ethanol
CID 142479805
1-[1-[[5-[2-[4-(piperidin-1-ylmethyl)phenyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 142479751
(1S)-1-[1-[[5-[5-(5-morpholin-4-ylpenta-1,3-diynyl)-2-pyridinyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 171521380
(1S)-1-[1-[[5-[2-[4-[(2S)-2-methylbutoxy]phenyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 142479411
[5-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-2-pyridinyl] acetate
CID 175576398
(1S)-1-[1-[[5-[4-(5-morpholin-4-ylpent-1-ynyl)phenyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 171521388
2-[[4-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 151077909
2-[4-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]cyclopropane-1-carboxylic acid
CID 142479789
4-[3-[4-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]phenoxy]propyl]morpholine
CID 142479801
4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine
CID 135386775
(1S)-1-[1-[[5-[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 167451717
(1S)-1-[1-[[5-[4-(3,3-dimethylbut-1-ynyl)phenyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 151682618

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol (CID 142479802) is 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol is CC(O)c1nccn1Cc1cc(C#Cc2ccc(OCCN3CCOCC3)nc2)on1.
What is the InChIKey of 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
The InChIKey is YDZYUENFYKADRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-17(28)22-23-6-7-27(22)16-19-14-20(31-25-19)4-2-18-3-5-21(24-15-18)30-13-10-26-8-11-29-12-9-26/h3,5-7,14-15,17,28H,8-13,16H2,1H3.
What are the key properties of 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol has a molecular weight of 423.47 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 142479802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).