2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C19H17ClF3N5O — CID 27207667

IUPAC2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c(Cl)c1
InChIInChI=1S/C19H17ClF3N5O/c20-15-10-14(19(21,22)23)11-24-17(15)28-8-6-27(7-9-28)12-16-25-26-18(29-16)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2
InChIKeyHQRMYEAWRGKPBJ-UHFFFAOYSA-N
MW423.83 g/mol
LogP4.13
Rot. Bonds4

About 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 27207667) has the molecular formula C19H17ClF3N5O and a molecular weight of 423.83 g/mol. Its IUPAC name is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID27207667
Molecular FormulaC19H17ClF3N5O
Molecular Weight423.83 g/mol
Exact Mass423.11
IUPAC Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c(Cl)c1
InChIInChI=1S/C19H17ClF3N5O/c20-15-10-14(19(21,22)23)11-24-17(15)28-8-6-27(7-9-28)12-16-25-26-18(29-16)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2
InChIKeyHQRMYEAWRGKPBJ-UHFFFAOYSA-N
XLogP4.13
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 27207667) is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is FC(F)(F)c1cnc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c(Cl)c1.
What is the InChIKey of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HQRMYEAWRGKPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O/c20-15-10-14(19(21,22)23)11-24-17(15)28-8-6-27(7-9-28)12-16-25-26-18(29-16)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2.
What are the key properties of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 423.83 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 27207667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).