3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C16H20FN3O3 — CID 120893709

IUPAC3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(COc3cccc(F)c3)no2)CCNC1
InChIInChI=1S/C16H20FN3O3/c1-21-8-6-16(5-7-18-11-16)15-19-14(20-23-15)10-22-13-4-2-3-12(17)9-13/h2-4,9,18H,5-8,10-11H2,1H3
InChIKeyZELDGATTZCIFEP-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.06
Rot. Bonds7

About 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 120893709) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID120893709
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(COc3cccc(F)c3)no2)CCNC1
InChIInChI=1S/C16H20FN3O3/c1-21-8-6-16(5-7-18-11-16)15-19-14(20-23-15)10-22-13-4-2-3-12(17)9-13/h2-4,9,18H,5-8,10-11H2,1H3
InChIKeyZELDGATTZCIFEP-UHFFFAOYSA-N
XLogP2.06
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842825
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120842824
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
5-(4-ethylpiperidin-4-yl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 63125817
5-(3-propylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472505
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 120893671
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893749
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 146050584
3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955905

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 120893709) is 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is COCCC1(c2nc(COc3cccc(F)c3)no2)CCNC1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZELDGATTZCIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-21-8-6-16(5-7-18-11-16)15-19-14(20-23-15)10-22-13-4-2-3-12(17)9-13/h2-4,9,18H,5-8,10-11H2,1H3.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 321.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120893709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).