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

C19H16F3N5O2 — CID 2813969

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)14-6-7-15(23-12-14)26-8-10-27(11-9-26)18(28)17-25-24-16(29-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyJIHJJVZGCGNKOJ-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.11
Rot. Bonds3

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

(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2813969) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2813969
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)14-6-7-15(23-12-14)26-8-10-27(11-9-26)18(28)17-25-24-16(29-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyJIHJJVZGCGNKOJ-UHFFFAOYSA-N
XLogP3.11
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2813969) is (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is JIHJJVZGCGNKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)14-6-7-15(23-12-14)26-8-10-27(11-9-26)18(28)17-25-24-16(29-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 403.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2813969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).