(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C37H34F2N8O6 — CID 159931430

IUPAC(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cnc[nH]1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1
InChIInChI=1S/C20H17F2N3O3.C17H17N5O3/c21-15-9-14(10-16(22)11-15)19(26)25-8-4-5-13(12-25)18-23-20(24-28-18)27-17-6-2-1-3-7-17;23-16(14-9-18-11-19-14)22-8-4-5-12(10-22)15-20-17(21-25-15)24-13-6-2-1-3-7-13/h1-3,6-7,9-11,13H,4-5,8,12H2;1-3,6-7,9,11-12H,4-5,8,10H2,(H,18,19)/t13-;12-/m00/s1
InChIKeyNZRNPPANWVKDCG-IMECTCCJSA-N
MW724.73 g/mol
LogP6.76
Rot. Bonds8

About (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 159931430) has the molecular formula C37H34F2N8O6 and a molecular weight of 724.73 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID159931430
Molecular FormulaC37H34F2N8O6
Molecular Weight724.73 g/mol
Exact Mass724.26
IUPAC Name(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cnc[nH]1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1
InChIInChI=1S/C20H17F2N3O3.C17H17N5O3/c21-15-9-14(10-16(22)11-15)19(26)25-8-4-5-13(12-25)18-23-20(24-28-18)27-17-6-2-1-3-7-17;23-16(14-9-18-11-19-14)22-8-4-5-12(10-22)15-20-17(21-25-15)24-13-6-2-1-3-7-13/h1-3,6-7,9-11,13H,4-5,8,12H2;1-3,6-7,9,11-12H,4-5,8,10H2,(H,18,19)/t13-;12-/m00/s1
InChIKeyNZRNPPANWVKDCG-IMECTCCJSA-N
XLogP6.76
TPSA165.60 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.73
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 69128780
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 159792245
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753
(4-fluorophenyl)-[3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59556423
(6-fluoro-3-pyridinyl)-[(3S)-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 135428841
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[3,5-bis(trifluoromethyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4045470
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 11257794
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1454031
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3225906

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 159931430) is (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cnc[nH]1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.
What is the InChIKey of (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is NZRNPPANWVKDCG-IMECTCCJSA-N. The full InChI is InChI=1S/C20H17F2N3O3.C17H17N5O3/c21-15-9-14(10-16(22)11-15)19(26)25-8-4-5-13(12-25)18-23-20(24-28-18)27-17-6-2-1-3-7-17;23-16(14-9-18-11-19-14)22-8-4-5-12(10-22)15-20-17(21-25-15)24-13-6-2-1-3-7-13/h1-3,6-7,9-11,13H,4-5,8,12H2;1-3,6-7,9,11-12H,4-5,8,10H2,(H,18,19)/t13-;12-/m00/s1.
What are the key properties of (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 724.73 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;1H-imidazol-5-yl-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 159931430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).