4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride

C15H20ClFN2O3 — CID 118289521

IUPAC4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride
SMILESCl.Fc1ccc(-c2nocc2CCN2CCOCC2)cc1.O
InChIInChI=1S/C15H17FN2O2.ClH.H2O/c16-14-3-1-12(2-4-14)15-13(11-20-17-15)5-6-18-7-9-19-10-8-18;;/h1-4,11H,5-10H2;1H;1H2
InChIKeyZYCVVRHZCXUZIH-UHFFFAOYSA-N
MW330.79 g/mol
LogP1.95
Rot. Bonds4

About 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride

4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride (PubChem CID 118289521) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride.

Molecular Properties

Compound Name4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride
PubChem CID118289521
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride
SMILESCl.Fc1ccc(-c2nocc2CCN2CCOCC2)cc1.O
InChIInChI=1S/C15H17FN2O2.ClH.H2O/c16-14-3-1-12(2-4-14)15-13(11-20-17-15)5-6-18-7-9-19-10-8-18;;/h1-4,11H,5-10H2;1H;1H2
InChIKeyZYCVVRHZCXUZIH-UHFFFAOYSA-N
XLogP1.95
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride 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

3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
CID 75204034
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1487690
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 71839759
4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride
CID 171671238
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
3-(2-morpholin-4-ylethyl)pyridin-2-amine;hydrochloride
CID 162323238
4-[2-(1,2-oxazol-5-yl)ethyl]morpholine
CID 173251895
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922527
6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
CID 135634761
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride?
The IUPAC name of 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride (CID 118289521) is 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride.
What is the SMILES notation for 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride?
The canonical SMILES for 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride is Cl.Fc1ccc(-c2nocc2CCN2CCOCC2)cc1.O.
What is the InChIKey of 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride?
The InChIKey is ZYCVVRHZCXUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2.ClH.H2O/c16-14-3-1-12(2-4-14)15-13(11-20-17-15)5-6-18-7-9-19-10-8-18;;/h1-4,11H,5-10H2;1H;1H2.
What are the key properties of 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride?
4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride has a molecular weight of 330.79 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride is sourced from PubChem (CID 118289521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).