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

C15H13ClF3N3O2 — CID 59347442

IUPAC(4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H13ClF3N3O2/c16-11-3-1-10(2-4-11)13(23)22-7-5-9(6-8-22)12-20-21-14(24-12)15(17,18)19/h1-4,9H,5-8H2
InChIKeyPJIPJHWQYHEYCD-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.76
Rot. Bonds2

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

(4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 59347442) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID59347442
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC Name(4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H13ClF3N3O2/c16-11-3-1-10(2-4-11)13(23)22-7-5-9(6-8-22)12-20-21-14(24-12)15(17,18)19/h1-4,9H,5-8H2
InChIKeyPJIPJHWQYHEYCD-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 59347442) is (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PJIPJHWQYHEYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2/c16-11-3-1-10(2-4-11)13(23)22-7-5-9(6-8-22)12-20-21-14(24-12)15(17,18)19/h1-4,9H,5-8H2.
What are the key properties of (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 359.74 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 59347442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).