[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C22H20F3N3O2 — CID 50846308

IUPAC[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)21(29)28-12-10-15(11-13-28)14-19-26-27-20(30-19)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyDHBIEGWATHFGKC-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.85
Rot. Bonds4

About [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 50846308) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID50846308
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)21(29)28-12-10-15(11-13-28)14-19-26-27-20(30-19)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyDHBIEGWATHFGKC-UHFFFAOYSA-N
XLogP4.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 50846308) is [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is DHBIEGWATHFGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)21(29)28-12-10-15(11-13-28)14-19-26-27-20(30-19)16-4-2-1-3-5-16/h1-9,15H,10-14H2.
What are the key properties of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 415.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 50846308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).