4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine

C22H24N4O2 — CID 135386775

IUPAC4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine
SMILESCCc1nccn1Cc1cc(C#Cc2ccc(CN3CCOCC3)cc2)on1
InChIInChI=1S/C22H24N4O2/c1-2-22-23-9-10-26(22)17-20-15-21(28-24-20)8-7-18-3-5-19(6-4-18)16-25-11-13-27-14-12-25/h3-6,9-10,15H,2,11-14,16-17H2,1H3
InChIKeyWNAXAZLUXRVABU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.71
Rot. Bonds5

About 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine

4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine (PubChem CID 135386775) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine
PubChem CID135386775
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine
SMILESCCc1nccn1Cc1cc(C#Cc2ccc(CN3CCOCC3)cc2)on1
InChIInChI=1S/C22H24N4O2/c1-2-22-23-9-10-26(22)17-20-15-21(28-24-20)8-7-18-3-5-19(6-4-18)16-25-11-13-27-14-12-25/h3-6,9-10,15H,2,11-14,16-17H2,1H3
InChIKeyWNAXAZLUXRVABU-UHFFFAOYSA-N
XLogP2.71
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]phenoxy]propyl]morpholine
CID 142479801
N-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]oxetan-3-amine
CID 135387521
3-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]azetidin-3-ol
CID 142479570
3-[(2-ethylimidazol-1-yl)methyl]-5-[2-[4-(2-methoxyoxolan-2-yl)phenyl]ethynyl]-1,2-oxazole
CID 142479455
3-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]propane-1,2-diol
CID 142479289
1-[1-[[5-[2-[4-(piperidin-1-ylmethyl)phenyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 142479751
azetidin-3-yl-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methanol
CID 142479488
2-[3-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]propyl-(2-hydroxyethyl)amino]ethanol
CID 142479646
[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol
CID 174239497
ethyl 1-[[5-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-1,2-oxazol-3-yl]methyl]imidazole-2-carboxylate
CID 167451654
4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]morpholine
CID 123803734
1-[1-[[5-[2-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]ethynyl]-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 142479802

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine (CID 135386775) is 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine is CCc1nccn1Cc1cc(C#Cc2ccc(CN3CCOCC3)cc2)on1.
What is the InChIKey of 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine?
The InChIKey is WNAXAZLUXRVABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-22-23-9-10-26(22)17-20-15-21(28-24-20)8-7-18-3-5-19(6-4-18)16-25-11-13-27-14-12-25/h3-6,9-10,15H,2,11-14,16-17H2,1H3.
What are the key properties of 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine?
4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine has a molecular weight of 376.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]methyl]morpholine is sourced from PubChem (CID 135386775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).