(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

C13H15ClFN3O3 — CID 120893635

IUPAC(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCl.Fc1cccc(OCc2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C13H14FN3O3.ClH/c14-9-2-1-3-10(6-9)19-8-12-16-13(20-17-12)11-7-15-4-5-18-11;/h1-3,6,11,15H,4-5,7-8H2;1H/t11-;/m0./s1
InChIKeyAGYRJUUZWTVINV-MERQFXBCSA-N
MW315.73 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (PubChem CID 120893635) has the molecular formula C13H15ClFN3O3 and a molecular weight of 315.73 g/mol. Its IUPAC name is (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
PubChem CID120893635
Molecular FormulaC13H15ClFN3O3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCl.Fc1cccc(OCc2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C13H14FN3O3.ClH/c14-9-2-1-3-10(6-9)19-8-12-16-13(20-17-12)11-7-15-4-5-18-11;/h1-3,6,11,15H,4-5,7-8H2;1H/t11-;/m0./s1
InChIKeyAGYRJUUZWTVINV-MERQFXBCSA-N
XLogP1.87
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;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

(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893749
(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838949
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
(2S)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120838954
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 79720207
2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893665
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (CID 120893635) is (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is Cl.Fc1cccc(OCc2noc([C@@H]3CNCCO3)n2)c1.
What is the InChIKey of (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The InChIKey is AGYRJUUZWTVINV-MERQFXBCSA-N. The full InChI is InChI=1S/C13H14FN3O3.ClH/c14-9-2-1-3-10(6-9)19-8-12-16-13(20-17-12)11-7-15-4-5-18-11;/h1-3,6,11,15H,4-5,7-8H2;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride has a molecular weight of 315.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is sourced from PubChem (CID 120893635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).