(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

C15H20ClN3O4 — CID 120838949

IUPAC(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCOc1cccc(COCc2noc([C@H]3CNCCO3)n2)c1.Cl
InChIInChI=1S/C15H19N3O4.ClH/c1-19-12-4-2-3-11(7-12)9-20-10-14-17-15(22-18-14)13-8-16-5-6-21-13;/h2-4,7,13,16H,5-6,8-10H2,1H3;1H/t13-;/m1./s1
InChIKeyVAHSROUCEOONGF-BTQNPOSSSA-N
MW341.80 g/mol
LogP1.88
Rot. Bonds6

About (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (PubChem CID 120838949) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
PubChem CID120838949
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCOc1cccc(COCc2noc([C@H]3CNCCO3)n2)c1.Cl
InChIInChI=1S/C15H19N3O4.ClH/c1-19-12-4-2-3-11(7-12)9-20-10-14-17-15(22-18-14)13-8-16-5-6-21-13;/h2-4,7,13,16H,5-6,8-10H2,1H3;1H/t13-;/m1./s1
InChIKeyVAHSROUCEOONGF-BTQNPOSSSA-N
XLogP1.88
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120838954
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
5-(4,4-difluoropyrrolidin-2-yl)-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole
CID 120838871
3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838978
(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120837076
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride
CID 120838912
3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720028
2-[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]morpholine
CID 114718323
[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride
CID 120838927
3-[(3-methoxyphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780842

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The IUPAC name of (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (CID 120838949) is (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.
What is the SMILES notation for (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The canonical SMILES for (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is COc1cccc(COCc2noc([C@H]3CNCCO3)n2)c1.Cl.
What is the InChIKey of (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The InChIKey is VAHSROUCEOONGF-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H19N3O4.ClH/c1-19-12-4-2-3-11(7-12)9-20-10-14-17-15(22-18-14)13-8-16-5-6-21-13;/h2-4,7,13,16H,5-6,8-10H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is sourced from PubChem (CID 120838949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).