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

C13H15ClFN3O2 — CID 120838767

IUPAC(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCc1cc(-c2noc([C@@H]3CNCCO3)n2)ccc1F.Cl
InChIInChI=1S/C13H14FN3O2.ClH/c1-8-6-9(2-3-10(8)14)12-16-13(19-17-12)11-7-15-4-5-18-11;/h2-3,6,11,15H,4-5,7H2,1H3;1H/t11-;/m0./s1
InChIKeyMACLJKLKAHNCRD-MERQFXBCSA-N
MW299.73 g/mol
LogP2.27
Rot. Bonds2

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

(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (PubChem CID 120838767) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
PubChem CID120838767
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCc1cc(-c2noc([C@@H]3CNCCO3)n2)ccc1F.Cl
InChIInChI=1S/C13H14FN3O2.ClH/c1-8-6-9(2-3-10(8)14)12-16-13(19-17-12)11-7-15-4-5-18-11;/h2-3,6,11,15H,4-5,7H2,1H3;1H/t11-;/m0./s1
InChIKeyMACLJKLKAHNCRD-MERQFXBCSA-N
XLogP2.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
3-(4-fluoro-3-methylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838743
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
3-(4-fluoro-3-methylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63719853
(2R)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120892309
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (CID 120838767) is (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is Cc1cc(-c2noc([C@@H]3CNCCO3)n2)ccc1F.Cl.
What is the InChIKey of (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The InChIKey is MACLJKLKAHNCRD-MERQFXBCSA-N. The full InChI is InChI=1S/C13H14FN3O2.ClH/c1-8-6-9(2-3-10(8)14)12-16-13(19-17-12)11-7-15-4-5-18-11;/h2-3,6,11,15H,4-5,7H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride has a molecular weight of 299.73 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is sourced from PubChem (CID 120838767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).