(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine

C17H22N4O3 — CID 120840399

IUPAC(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C17H22N4O3/c1-2-13(12-21-5-8-22-9-6-21)10-14(3-1)16-19-17(24-20-16)15-11-18-4-7-23-15/h1-3,10,15,18H,4-9,11-12H2/t15-/m0/s1
InChIKeyMODUBFHEVRTNNI-HNNXBMFYSA-N
MW330.39 g/mol
LogP1.23
Rot. Bonds4

About (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine

(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 120840399) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID120840399
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C17H22N4O3/c1-2-13(12-21-5-8-22-9-6-21)10-14(3-1)16-19-17(24-20-16)15-11-18-4-7-23-15/h1-3,10,15,18H,4-9,11-12H2/t15-/m0/s1
InChIKeyMODUBFHEVRTNNI-HNNXBMFYSA-N
XLogP1.23
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine with MolForge

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Related Compounds

(2R)-2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840650
4-[[3-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840307
(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120840936
(2R)-2-[3-[3-(benzimidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120840254
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 127318357
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine (CID 120840399) is (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine is c1cc(CN2CCOCC2)cc(-c2noc([C@@H]3CNCCO3)n2)c1.
What is the InChIKey of (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is MODUBFHEVRTNNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-13(12-21-5-8-22-9-6-21)10-14(3-1)16-19-17(24-20-16)15-11-18-4-7-23-15/h1-3,10,15,18H,4-9,11-12H2/t15-/m0/s1.
What are the key properties of (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine?
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 330.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 120840399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).