3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine

C99H131F2N23O14 — CID 163549015

IUPAC3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine
SMILESCC(C)c1ccc(-c2nnc(N3CCC(N4CCOCC4)CC3)o2)nc1.CC(C)c1ccc(-c2nnc(N3CCOCC3)o2)nc1.COc1cc(-c2nc(N3CC(F)(F)C3)no2)ccc1C(C)C.COc1cc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)ccc1C(C)C.COc1cc(-c2nc(N3CCC3)no2)ccc1C(C)C.COc1cc(-c2nnc(N3CCOCC3)o2)ncc1C(C)C
InChIInChI=1S/C21H30N4O3.C19H27N5O2.C15H17F2N3O2.C15H20N4O3.C15H19N3O2.C14H18N4O2/c1-15(2)18-5-4-16(14-19(18)26-3)20-22-21(23-28-20)25-8-6-17(7-9-25)24-10-12-27-13-11-24;1-14(2)15-3-4-17(20-13-15)18-21-22-19(26-18)24-7-5-16(6-8-24)23-9-11-25-12-10-23;1-9(2)11-5-4-10(6-12(11)21-3)13-18-14(19-22-13)20-7-15(16,17)8-20;1-10(2)11-9-16-12(8-13(11)20-3)14-17-18-15(22-14)19-4-6-21-7-5-19;1-10(2)12-6-5-11(9-13(12)19-3)14-16-15(17-20-14)18-7-4-8-18;1-10(2)11-3-4-12(15-9-11)13-16-17-14(20-13)18-5-7-19-8-6-18/h4-5,14-15,17H,6-13H2,1-3H3;3-4,13-14,16H,5-12H2,1-2H3;4-6,9H,7-8H2,1-3H3;8-10H,4-7H2,1-3H3;5-6,9-10H,4,7-8H2,1-3H3;3-4,9-10H,5-8H2,1-2H3
InChIKeyFHLLOYKUSPBJEG-UHFFFAOYSA-N
MW1905.28 g/mol
LogP16.32
Rot. Bonds24

About 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine

3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine (PubChem CID 163549015) has the molecular formula C99H131F2N23O14 and a molecular weight of 1905.28 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine
PubChem CID163549015
Molecular FormulaC99H131F2N23O14
Molecular Weight1905.28 g/mol
Exact Mass1904.02
IUPAC Name3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine
SMILESCC(C)c1ccc(-c2nnc(N3CCC(N4CCOCC4)CC3)o2)nc1.CC(C)c1ccc(-c2nnc(N3CCOCC3)o2)nc1.COc1cc(-c2nc(N3CC(F)(F)C3)no2)ccc1C(C)C.COc1cc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)ccc1C(C)C.COc1cc(-c2nc(N3CCC3)no2)ccc1C(C)C.COc1cc(-c2nnc(N3CCOCC3)o2)ncc1C(C)C
InChIInChI=1S/C21H30N4O3.C19H27N5O2.C15H17F2N3O2.C15H20N4O3.C15H19N3O2.C14H18N4O2/c1-15(2)18-5-4-16(14-19(18)26-3)20-22-21(23-28-20)25-8-6-17(7-9-25)24-10-12-27-13-11-24;1-14(2)15-3-4-17(20-13-15)18-21-22-19(26-18)24-7-5-16(6-8-24)23-9-11-25-12-10-23;1-9(2)11-5-4-10(6-12(11)21-3)13-18-14(19-22-13)20-7-15(16,17)8-20;1-10(2)11-9-16-12(8-13(11)20-3)14-17-18-15(22-14)19-4-6-21-7-5-19;1-10(2)12-6-5-11(9-13(12)19-3)14-16-15(17-20-14)18-7-4-8-18;1-10(2)11-3-4-12(15-9-11)13-16-17-14(20-13)18-5-7-19-8-6-18/h4-5,14-15,17H,6-13H2,1-3H3;3-4,13-14,16H,5-12H2,1-2H3;4-6,9H,7-8H2,1-3H3;8-10H,4-7H2,1-3H3;5-6,9-10H,4,7-8H2,1-3H3;3-4,9-10H,5-8H2,1-2H3
InChIKeyFHLLOYKUSPBJEG-UHFFFAOYSA-N
XLogP16.32
TPSA371.95 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.28
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine?
The IUPAC name of 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine (CID 163549015) is 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine is CC(C)c1ccc(-c2nnc(N3CCC(N4CCOCC4)CC3)o2)nc1.CC(C)c1ccc(-c2nnc(N3CCOCC3)o2)nc1.COc1cc(-c2nc(N3CC(F)(F)C3)no2)ccc1C(C)C.COc1cc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)ccc1C(C)C.COc1cc(-c2nc(N3CCC3)no2)ccc1C(C)C.COc1cc(-c2nnc(N3CCOCC3)o2)ncc1C(C)C.
What is the InChIKey of 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine?
The InChIKey is FHLLOYKUSPBJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3.C19H27N5O2.C15H17F2N3O2.C15H20N4O3.C15H19N3O2.C14H18N4O2/c1-15(2)18-5-4-16(14-19(18)26-3)20-22-21(23-28-20)25-8-6-17(7-9-25)24-10-12-27-13-11-24;1-14(2)15-3-4-17(20-13-15)18-21-22-19(26-18)24-7-5-16(6-8-24)23-9-11-25-12-10-23;1-9(2)11-5-4-10(6-12(11)21-3)13-18-14(19-22-13)20-7-15(16,17)8-20;1-10(2)11-9-16-12(8-13(11)20-3)14-17-18-15(22-14)19-4-6-21-7-5-19;1-10(2)12-6-5-11(9-13(12)19-3)14-16-15(17-20-14)18-7-4-8-18;1-10(2)11-3-4-12(15-9-11)13-16-17-14(20-13)18-5-7-19-8-6-18/h4-5,14-15,17H,6-13H2,1-3H3;3-4,13-14,16H,5-12H2,1-2H3;4-6,9H,7-8H2,1-3H3;8-10H,4-7H2,1-3H3;5-6,9-10H,4,7-8H2,1-3H3;3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine?
3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine has a molecular weight of 1905.28 g/mol, XLogP of 16.32, 24 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;3-(3,3-difluoroazetidin-1-yl)-5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-[1-[5-(3-methoxy-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine;4-[5-(4-methoxy-5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]morpholine;4-[1-[5-(5-propan-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 163549015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).