2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine

C20H20FN3O3 — CID 126792008

IUPAC2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESCOc1ccccc1-c1nnc(CN2CCOC(c3cccc(F)c3)C2)o1
InChIInChI=1S/C20H20FN3O3/c1-25-17-8-3-2-7-16(17)20-23-22-19(27-20)13-24-9-10-26-18(12-24)14-5-4-6-15(21)11-14/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyVSEFBGSSNWHXSO-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.46
Rot. Bonds5

About 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine

2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (PubChem CID 126792008) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
PubChem CID126792008
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESCOc1ccccc1-c1nnc(CN2CCOC(c3cccc(F)c3)C2)o1
InChIInChI=1S/C20H20FN3O3/c1-25-17-8-3-2-7-16(17)20-23-22-19(27-20)13-24-9-10-26-18(12-24)14-5-4-6-15(21)11-14/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyVSEFBGSSNWHXSO-UHFFFAOYSA-N
XLogP3.46
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2R)-2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-methoxyphenol
CID 124614792
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
CID 86795528
2-(2-methoxyphenyl)-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 99578901
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553263
(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553262
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The IUPAC name of 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (CID 126792008) is 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The canonical SMILES for 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is COc1ccccc1-c1nnc(CN2CCOC(c3cccc(F)c3)C2)o1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The InChIKey is VSEFBGSSNWHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-25-17-8-3-2-7-16(17)20-23-22-19(27-20)13-24-9-10-26-18(12-24)14-5-4-6-15(21)11-14/h2-8,11,18H,9-10,12-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine has a molecular weight of 369.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 126792008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).