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

C18H24N4O2 — CID 120840369

IUPAC4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2noc(CC3CCNC3)n2)c1
InChIInChI=1S/C18H24N4O2/c1-2-15(13-22-6-8-23-9-7-22)10-16(3-1)18-20-17(24-21-18)11-14-4-5-19-12-14/h1-3,10,14,19H,4-9,11-13H2
InChIKeyNMWNZXBJLJTFSI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.72
Rot. Bonds5

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

4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (PubChem CID 120840369) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
PubChem CID120840369
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2noc(CC3CCNC3)n2)c1
InChIInChI=1S/C18H24N4O2/c1-2-15(13-22-6-8-23-9-7-22)10-16(3-1)18-20-17(24-21-18)11-14-4-5-19-12-14/h1-3,10,14,19H,4-9,11-13H2
InChIKeyNMWNZXBJLJTFSI-UHFFFAOYSA-N
XLogP1.72
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-4-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839379
4-[[3-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840307
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840924
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 124566854
3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921243
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 127318357
6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
CID 120840361
3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (CID 120840369) is 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is c1cc(CN2CCOCC2)cc(-c2noc(CC3CCNC3)n2)c1.
What is the InChIKey of 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The InChIKey is NMWNZXBJLJTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-15(13-22-6-8-23-9-7-22)10-16(3-1)18-20-17(24-21-18)11-14-4-5-19-12-14/h1-3,10,14,19H,4-9,11-13H2.
What are the key properties of 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 328.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 120840369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).