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

C15H13BrF3N3O2 — CID 71793040

IUPAC(2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C15H13BrF3N3O2/c16-11-6-2-1-5-10(11)13(23)22-7-3-4-9(8-22)12-20-21-14(24-12)15(17,18)19/h1-2,5-6,9H,3-4,7-8H2
InChIKeyRJMUGSRZXHIFEW-UHFFFAOYSA-N
MW404.19 g/mol
LogP3.87
Rot. Bonds2

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

(2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71793040) has the molecular formula C15H13BrF3N3O2 and a molecular weight of 404.19 g/mol. Its IUPAC name is (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID71793040
Molecular FormulaC15H13BrF3N3O2
Molecular Weight404.19 g/mol
Exact Mass403.01
IUPAC Name(2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C15H13BrF3N3O2/c16-11-6-2-1-5-10(11)13(23)22-7-3-4-9(8-22)12-20-21-14(24-12)15(17,18)19/h1-2,5-6,9H,3-4,7-8H2
InChIKeyRJMUGSRZXHIFEW-UHFFFAOYSA-N
XLogP3.87
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.19
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 71793040) is (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccccc1Br)N1CCCC(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is RJMUGSRZXHIFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N3O2/c16-11-6-2-1-5-10(11)13(23)22-7-3-4-9(8-22)12-20-21-14(24-12)15(17,18)19/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 404.19 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71793040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).